Medvedev Lab DrugDomain Protein List Small Molecules Download GitHub
P18031 PTN1_HUMAN
Gene name: PTPN1
Protein name: Tyrosine-protein phosphatase non-receptor

List of molecules and drugs that interact with protein P18031

# DrugDomain Data PBD ligand DrugBank Accession PubChem ChEMBL Name Drug action Affinity data
1 P18031_024 024 DB06829 17759780 CHEMBL243940 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID n/a Ki(nM) = 210.0
2 P18031_02S 02S n/a 73880 CHEMBL3134411 4-(benzyloxy)benzoic acid n/a
3 P18031_073 073 n/a 5494387 n/a (4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID n/a
4 P18031_0R0 0R0 n/a 11907 CHEMBL195342 2-hydroxybenzonitrile n/a
5 P18031_1C2 1C2 DB06887 5327152 CHEMBL203517 3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER n/a
6 P18031_1CG 1CG n/a 70679465 n/a [(4-{(2S)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid n/a
7 P18031_213 213 n/a 448026 n/a 4'-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)-1,1'-BIPHENYL-3-YLPHOSPHONIC ACID n/a
8 P18031_214 214 n/a 448029 n/a 6-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN-8-YLPHOSPHONIC ACID n/a
9 P18031_234 234 DB02014 447994 CHEMBL117869 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID n/a Ki(nM) = 6.9
IC50(nM) = 6900.0
10 P18031_2O8 2O8 n/a 2422516 n/a 4-[(trifluoromethyl)sulfanyl]benzamide n/a
11 P18031_335 335 n/a 448021 CHEMBL276647 [4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID n/a
12 P18031_35B 35B n/a 24941241 n/a 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid n/a
13 P18031_410 410 n/a 24941242 n/a 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid n/a
14 P18031_418 418 DB04088 10305301 CHEMBL325029 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZ OIC ACID METHYL ESTER n/a
15 P18031_429 429 n/a 448214 CHEMBL341103 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER n/a
16 P18031_4B3 4B3 n/a 17759043 CHEMBL243942 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID n/a
17 P18031_509 509 DB07130 9547959 CHEMBL213758 4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID n/a Ki(nM) = 1300.0
18 P18031_512 512 n/a 9547975 CHEMBL212296 4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID n/a
19 P18031_515 515 n/a 447410 CHEMBL1230341 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID n/a
20 P18031_521 521 DB07134 16058639 CHEMBL394484 5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE n/a
21 P18031_527 527 n/a 11786814 CHEMBL541214 5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID n/a
22 P18031_588 588 n/a 5287526 CHEMBL549752 2-{[2-(2-CARBAMOYL-VINYL)-4-(2-METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID n/a
23 P18031_598 598 n/a 5327048 n/a 6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID n/a
24 P18031_600 600 n/a 448031 n/a 6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACID n/a
25 P18031_694 694 DB07197 9547958 CHEMBL214502 4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID n/a Ki(nM) = 300.0
26 P18031_6RO 6RO n/a 706838 n/a ~{N}-(4-chlorophenyl)methanesulfonamide n/a
27 P18031_6SU 6SU n/a 2806372 CHEMBL1384742 methyl 3-(methylsulfonylamino)benzoate n/a
28 P18031_73U 73U n/a 126476619 n/a 5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione n/a
29 P18031_761 761 DB01734 1628 CHEMBL383570 3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXYLIC ACID inhibitor Ki(nM) = 9900.0
30 P18031_794 794 DB03982 447411 CHEMBL64934 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID n/a Ki(nM) = 24000.0
Kd(nM) = 26000.0
31 P18031_7MU 7MU n/a 1476814 CHEMBL4163507 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide n/a
32 P18031_825 825 DB07263 24808499 n/a [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid n/a
33 P18031_878 878 DB02662 1829 CHEMBL336908 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID inhibitor Ki(nM) = 13900.0
34 P18031_892 892 DB02259 448661 n/a 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID (4-SULFAMOYL-PHENYL)-AMIDE n/a
35 P18031_8H8 8H8 n/a 2734675 n/a 2-fluoro-4-hydroxybenzonitrile n/a
36 P18031_901 901 n/a 447461 n/a 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-3-METHYLSULFANYL-PROPYLCARBAMOYL)-BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-PHENYL)-OXALYL-AM INO]-BENZOIC ACID n/a
37 P18031_902 902 n/a 16058638 CHEMBL241070 {[5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-2-(2H-TETRAZOL-5-YL)-3-THIENYL]OXY}ACETIC ACID n/a
38 P18031_910 910 DB07289 17758920 CHEMBL243731 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID n/a Ki(nM) = 470.0
39 P18031_941 941 n/a 447968 CHEMBL557758 2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID n/a
40 P18031_964 964 DB02620 n/a n/a 3-(4-{2-[2-(2-BROMO-ACETYLAMINO)-ETHYLDISULFANYL]-ETHYLCARBAMOYL}-CYCLOHEXYLCARBAMOYL)-PYRAZINE-2-CARBOXYLIC ACID inhibitor
41 P18031_968 968 DB07295 447695 CHEMBL305785 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID n/a Ki(nM) = 17000.0
Kd(nM) = 8000.0
42 P18031_982 982 DB07298 5327045 n/a 3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID n/a Ki(nM) = 230000.0
43 P18031_989 989 DB01820 447392 CHEMBL1230658 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID n/a
44 P18031_ACT ACT DB14511 175 n/a ACETATE ION inhibitor
45 P18031_ACY ACY DB03166 176;21980959;160748163; CHEMBL539 ACETIC ACID n/a
46 P18031_AW7 AW7 n/a 2764389 n/a 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine n/a
47 P18031_AWD AWD n/a 851986 CHEMBL4514548 ~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide n/a
48 P18031_AWG AWG n/a 672245 CHEMBL1409855 ~{N}2-(1~{H}-benzimidazol-2-yl)benzene-1,2-diamine n/a
49 P18031_AWS AWS n/a 3303369;5360361; n/a 8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one n/a
50 P18031_BB3 BB3 DB04142 448660 n/a 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE n/a
51 P18031_BEN BEN n/a 2332 CHEMBL20936 BENZAMIDINE n/a
52 P18031_BGD BGD DB03483 446986 n/a N-BENZOYL-L-GLUTAMYL-[4-PHOSPHONO(DIFLUOROMETHYL)]-L-PHENYLALANINE-[4-PHOSPHONO(DIFLUORO-METHYL)]-L-PHENYLALANINEAMIDE n/a
53 P18031_BOG BOG n/a 62852 CHEMBL446037 octyl beta-D-glucopyranoside n/a
54 P18031_BPM BPM DB07480 1757 n/a 4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN n/a
55 P18031_C0A C0A n/a 91826021 n/a 3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide n/a
56 P18031_CA CA n/a 271 n/a CALCIUM ION n/a
57 P18031_CL CL n/a 312 n/a CHLORIDE ION n/a
58 P18031_COL COL DB02072 1521 CHEMBL139423 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]THIOPYRAN-3-CARBOXYLIC ACID n/a Ki(nM) = 8290.0
59 P18031_D0P D0P n/a 134163690 n/a N-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide n/a
60 P18031_DBD DBD DB02827 446871 CHEMBL577144 7-(1,1-DIOXO-1H-BENZO[D]ISOTHIAZOL-3-YLOXYMETHYL)-2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID n/a Ki(nM) = 1100.0
61 P18031_DFJ DFJ n/a 9549198 CHEMBL1232186 N-({4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}ACETYL)-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE n/a
62 P18031_DFM DFM DB07651 9547919 CHEMBL196526 N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE n/a IC50(nM) = 1700.0
63 P18031_DMS DMS DB01093 679 CHEMBL504 DIMETHYL SULFOXIDE n/a
64 P18031_DSJ DSJ n/a 459296 n/a 1-(4-amino-2-hydroxyphenyl)ethan-1-one n/a
65 P18031_EDO EDO n/a 174 CHEMBL457299 1,2-ETHANEDIOL n/a
66 P18031_ENT ENT DB07719 5327155 n/a 3(R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER n/a Ki(nM) = 24000.0
IC50(nM) = 42500.0
67 P18031_EPE EPE DB16872 23830;23831;3275884; CHEMBL1232545 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID n/a
68 P18031_ES7 ES7 n/a 74187 CHEMBL1232570 1-methyl-1H-benzimidazol-2-amine n/a
69 P18031_F16 F16 DB07730 10062718 n/a 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE n/a IC50(nM) = 1350.0
70 P18031_F17 F17 n/a 10062719 n/a N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)-L-PHENYLALANINAMIDE n/a
71 P18031_F20 F20 n/a 9547917 n/a N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE n/a
72 P18031_F32 F32 n/a 9549199 CHEMBL440955 (5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-3-ONE 1,1-DIOXIDE n/a
73 P18031_F8D F8D n/a 134817772 n/a 1-[(3S,3aS,8bS)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one n/a
74 P18031_FEP FEP DB04204 446665 CHEMBL1161222 [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-BUTYL}-PHENYL)-DIFLUORO-METHYL]-PHOSPHONIC ACID n/a
75 P18031_FG1 FG1 DB02784 49866981 n/a N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-ETHYL)-PHENYL]-OXALAMIC ACID n/a
76 P18031_FNP FNP DB03154 446662 CHEMBL1161221 {[7-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-PHOSPHONIC ACID n/a
77 P18031_FRJ FRJ DB03311 448662 CHEMBL1232829 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE n/a IC50(nM) = 2000.0
78 P18031_GOL GOL DB09462 753 CHEMBL692 GLYCEROL n/a
79 P18031_GQP GQP n/a 755572 CHEMBL1541796 1-[(4-fluorophenyl)methyl]benzimidazole n/a
80 P18031_GRY GRY n/a 735909 n/a ~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine n/a
81 P18031_GUY GUY n/a 960197 n/a ~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide n/a
82 P18031_GV1 GV1 n/a 1076193 n/a ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine n/a
83 P18031_GW1 GW1 n/a 831977 CHEMBL1347703 (4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone n/a
84 P18031_H5A H5A n/a 8357 CHEMBL377172 3,4,5-trimethoxybenzoic acid n/a
85 P18031_INX INX DB04525 n/a CHEMBL175198 2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACID n/a
86 P18031_INZ INZ DB02436 445784 n/a 2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID n/a
87 P18031_IX1 IX1 DB08001 449162 CHEMBL184444 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID n/a Ki(nM) = 0.92
IC50(nM) = 920.0
88 P18031_IZ1 IZ1 n/a 17749736 n/a N-[(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-(4-phenyl-1H-imidazol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide n/a
89 P18031_IZ2 IZ2 n/a 17749737 n/a N-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide n/a
90 P18031_IZ3 IZ3 n/a 49867163 n/a 3-fluoro-N-[(1S)-1-[4-[(2-fluorophenyl)methyl]imidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide n/a
91 P18031_IZ4 IZ4 n/a 44629582 n/a N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide n/a
92 P18031_IZ5 IZ5 n/a 17749740 n/a N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[4-(3-phenylpropyl)-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide n/a
93 P18031_IZB IZB n/a 9549201 n/a N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}ETHYL]-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE n/a
94 P18031_IZD IZD DB08003 9547915 CHEMBL382311 ISOTHIAZOLIDINONE ANALOG inhibitor Ki(nM) = 180.0
IC50(nM) = 190.0
95 P18031_IZE IZE n/a 9549200 n/a N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE n/a
96 P18031_IZF IZF n/a 9549202 n/a METHYL 2-{[5-({3-CHLORO-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-N-(PHENYLSULFONYL)-L-PHENYLALANYL}AMINO)PENTYL]OXY}-6-HYDROXYBENZOATE n/a
97 P18031_JFJ JFJ n/a 122721 CHEMBL1178161 1-(3-chlorophenyl)-N-methylmethanamine n/a
98 P18031_JFM JFM n/a 118569 n/a N-(2-phenylethyl)methanesulfonamide n/a
99 P18031_JFP JFP n/a 3613666 CHEMBL4096653 N-(4-methyl-1,3-thiazol-2-yl)propanamide n/a
100 P18031_JFS JFS n/a 2763828 n/a [4-(1H-benzimidazol-1-yl)phenyl]methanol n/a
101 P18031_JFV JFV n/a 2763848 n/a methyl 2-(4-aminophenoxy)benzoate n/a
102 P18031_JFY JFY n/a 669035 n/a N-{4-[(2S)-butan-2-yl]phenyl}methanesulfonamide n/a
103 P18031_JG4 JG4 n/a 4291023 n/a 2-(thiophen-2-yl)-1H-imidazole n/a
104 P18031_JGA JGA n/a 1526575 n/a N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea n/a
105 P18031_JGD JGD n/a 14284 CHEMBL3561645 N,N-dimethylpyridin-4-amine n/a
106 P18031_JGG JGG n/a 2815672 CHEMBL1341300 N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide n/a
107 P18031_JGJ JGJ n/a 835321 n/a 2-methoxy-N-[(1R)-1-phenylethyl]acetamide n/a
108 P18031_JGM JGM n/a 853641 n/a {N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide n/a
109 P18031_JGP JGP n/a 673374 CHEMBL2203921 (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone n/a
110 P18031_JGS JGS n/a 2812099 n/a 3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid n/a
111 P18031_JGV JGV n/a 137349596 n/a (2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone n/a
112 P18031_JGY JGY n/a 1224835 CHEMBL4975751 1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide n/a
113 P18031_JH1 JH1 n/a 1225887 n/a 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide n/a
114 P18031_JH4 JH4 n/a 265776 n/a N-methylpyrimidin-2-amine n/a
115 P18031_JH7 JH7 n/a 2818508 n/a 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one n/a
116 P18031_JHA JHA n/a 937604 CHEMBL1300875 3-chloro-4-(4-methylpiperidin-1-yl)aniline n/a
117 P18031_JHD JHD n/a 79832 n/a 1-(3,4-dimethoxyphenyl)methanamine n/a
118 P18031_JHJ JHJ n/a 694486 CHEMBL274733 N-(4-methoxyphenyl)-N'-pyridin-4-ylurea n/a
119 P18031_JHP JHP n/a 891856 CHEMBL1360349 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide n/a
120 P18031_JHS JHS n/a 755211 n/a N-[(4-phenyloxan-4-yl)methyl]acetamide n/a
121 P18031_JHV JHV n/a 2815904 CHEMBL1896444 4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine n/a
122 P18031_JJ4 JJ4 n/a 897357 n/a 3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide n/a
123 P18031_JJ7 JJ7 n/a 2761031 n/a 1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one n/a
124 P18031_JJG JJG n/a 739875 n/a 4-[2-(phenylsulfanyl)ethyl]morpholine n/a
125 P18031_JJM JJM n/a 223732 CHEMBL1613442 1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine n/a
126 P18031_JJP JJP n/a 134817752 n/a (2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol n/a
127 P18031_JJY JJY n/a 2728077 n/a 3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione n/a
128 P18031_JK7 JK7 n/a 134817759 n/a N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide n/a
129 P18031_JKA JKA n/a 134817760 n/a (1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol n/a
130 P18031_JKG JKG n/a 677150 n/a 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol n/a
131 P18031_JKJ JKJ n/a n/a n/a (1R,3R,4S)-3-(methoxymethyl)-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol n/a
132 P18031_JKP JKP n/a 94830 CHEMBL2447891 2,6-dichloropyridine-4-carboxylic acid n/a
133 P18031_JKS JKS n/a 10261572 n/a 5-(pyrrolidin-1-yl)pyridine-2-carbonitrile n/a
134 P18031_JKV JKV n/a 2735305 CHEMBL1778132 3-(4-chlorophenyl)-1H-pyrazol-5-amine n/a
135 P18031_JKY JKY n/a 2800737 n/a N-[(4-chlorophenyl)methyl]methanesulfonamide n/a
136 P18031_JL1 JL1 n/a 725031 CHEMBL1625667 2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid n/a
137 P18031_JL4 JL4 n/a 614467 n/a 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid n/a
138 P18031_JL7 JL7 n/a 2794766 n/a 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid n/a
139 P18031_JLA JLA n/a 764599 CHEMBL1500396 4-(piperidin-1-yl)benzoic acid n/a
140 P18031_JLD JLD n/a 2734218 CHEMBL4971536 [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol n/a
141 P18031_JLG JLG n/a 2776317 CHEMBL1426654 2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid n/a
142 P18031_JLM JLM n/a 600591 n/a 3-methyl-1-benzofuran-2-carboxylic acid n/a
143 P18031_JLV JLV n/a 280390;2725495; n/a N-cyclohexyl-N'-methylthiourea n/a
144 P18031_JLY JLY n/a 2739533 n/a 4-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-c]pyridine n/a
145 P18031_JMA JMA n/a 2746992 n/a 4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol n/a
146 P18031_JMD JMD n/a 2800815 CHEMBL4534422 4-(2-hydroxyethyl)benzonitrile n/a
147 P18031_JMG JMG n/a 736494 CHEMBL3951007 5-phenylthiophene-2-carboxylic acid n/a
148 P18031_JMJ JMJ n/a 836941 CHEMBL1308236 N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide n/a
149 P18031_JMM JMM n/a 1203008 CHEMBL1330545 [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone n/a
150 P18031_JMV JMV n/a 11497 CHEMBL3247405 (3-chlorophenoxy)acetic acid n/a
151 P18031_JMY JMY n/a 134817753 n/a 1-[(3S,3aS,8bS)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one n/a
152 P18031_JN1 JN1 n/a 134817751 n/a (6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione n/a
153 P18031_JNA JNA n/a 2820601 n/a N-[(thiophen-2-yl)methyl]benzenesulfonamide n/a
154 P18031_JND JND n/a 645569;5287238; CHEMBL6215 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one n/a
155 P18031_JNG JNG n/a 55471 CHEMBL369615 [(4-chlorophenyl)sulfanyl]acetic acid n/a
156 P18031_JNM JNM n/a 643398 CHEMBL3274344 1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one n/a
157 P18031_JNP JNP n/a 600902 CHEMBL1413378 7-hydroxy-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one n/a
158 P18031_JNV JNV n/a 81060 n/a 1-(3,4-dichlorophenyl)propan-2-one n/a
159 P18031_JNY JNY n/a 247440;5290404; CHEMBL1338376 6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile n/a
160 P18031_JO1 JO1 n/a 1236012 CHEMBL4545111 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide n/a
161 P18031_JO4 JO4 n/a 75182 CHEMBL107518 4-phenoxybenzoic acid n/a
162 P18031_JO7 JO7 n/a 134817762 n/a (1R,4R,5R,6R)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol n/a
163 P18031_JOA JOA n/a 134817754 n/a (1R,4R,5R,6R)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane n/a
164 P18031_JOD JOD n/a n/a n/a (5S,8R,8aS)-8-hydroxyhexahydro-3H-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one n/a
165 P18031_JOG JOG n/a 134817756 n/a (1R,4R,5R,6S)-4,6-dihydroxy-N-phenyl-2-azabicyclo[3.3.1]nonane-2-carboxamide n/a
166 P18031_JOJ JOJ n/a 2778489 n/a 2-(4,5-dichloro-1H-imidazol-1-yl)ethanethioamide n/a
167 P18031_JOM JOM n/a 2731552 CHEMBL4588130 5-{[4-(trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2(3H)-thione n/a
168 P18031_JOP JOP n/a 134817757 n/a N-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N'-[(2R)-2-hydroxypropyl]thiourea n/a
169 P18031_JOV JOV n/a 978238 n/a 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide n/a
170 P18031_JOY JOY n/a 8834695 n/a 4-[(1H-pyrazol-1-yl)methyl]benzonitrile n/a
171 P18031_JP4 JP4 n/a 2776562 n/a [2-(morpholin-4-yl)phenyl]methanol n/a
172 P18031_JP7 JP7 n/a 134817763 n/a (6aR,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one n/a
173 P18031_JPD JPD n/a n/a n/a methyl (1S,3S,4R)-4-hydroxy-3-[(1S)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate n/a
174 P18031_JPG JPG n/a 10703750 n/a 1-(2-phenoxyphenyl)ethan-1-one n/a
175 P18031_JPV JPV n/a 134817766 n/a (2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol n/a
176 P18031_JQ4 JQ4 n/a n/a n/a (1S,3S,4R)-3-[(1S)-1-hydroxypropyl]-2-(methylsulfonyl)-2-azabicyclo[2.2.2]octan-4-ol n/a
177 P18031_JQ7 JQ7 n/a 134817769 n/a 2-[(4R)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1H)-yl]acetamide n/a
178 P18031_JQA JQA n/a 134817770 n/a (4R,4aR,6R,8aR)-1-benzyloctahydro-2H-6,4-(epiminomethano)-3,1-benzoxazin-2-one n/a
179 P18031_JQD JQD n/a 134817771 n/a (6aS,12aR)-3-methoxy-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-one n/a
180 P18031_KB8 KB8 n/a 2775690 CHEMBL2441619 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline n/a
181 P18031_LO1 LO1 DB02420 449125 CHEMBL426815 [[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID, inhibitor
182 P18031_LZP LZP n/a 42628066 CHEMBL443890 4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione} n/a
183 P18031_LZQ LZQ DB08147 510684 CHEMBL1234135 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid n/a IC50(nM) = 20000.0
184 P18031_MES MES DB03814 78165;4478249; CHEMBL1234276 2-(N-MORPHOLINO)-ETHANESULFONIC ACID n/a
185 P18031_MG MG n/a 888 n/a MAGNESIUM ION n/a
186 P18031_MPD MPD DB03564 5288834 n/a (4S)-2-METHYL-2,4-PENTANEDIOL n/a
187 P18031_MPV MPV n/a 2735377 CHEMBL1615094 1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine n/a
188 P18031_NA NA n/a 923 n/a SODIUM ION n/a
189 P18031_NO3 NO3 DB14049 943 CHEMBL186200 NITRATE ION n/a
190 P18031_O1J O1J n/a 290301 CHEMBL3247413 (benzyloxy)acetic acid n/a
191 P18031_OAI OAI DB04001 444763 CHEMBL342478 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID inhibitor Ki(nM) = 7943.28
192 P18031_OBA OBA DB02622 444764 CHEMBL139050 2-(OXALYL-AMINO)-BENZOIC ACID inhibitor Ki(nM) = 22908.68
193 P18031_OPA OPA DB03102 444765 CHEMBL138806 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID n/a Ki(nM) = 13900.0
194 P18031_OTA OTA DB03670 444766 CHEMBL139393 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID n/a Ki(nM) = 230.0
IC50(nM) = 500000.0
195 P18031_P27 P27 DB02651 448024 CHEMBL267048 {[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID) n/a IC50(nM) = 12.0
196 P18031_P90 P90 DB04285 448025 n/a {4-[(2S,4E)-2-(1,3-BENZOTHIAZOL-2-YL)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-5-PHENYLPENT-4-ENYL]PHENYL}(DIFLUORO)METHYLPHOSPHONIC ACID n/a
197 P18031_PEG PEG n/a 8117 CHEMBL1235226 DI(HYDROXYETHYL)ETHER n/a
198 P18031_PGE PGE DB02327 8172 CHEMBL1235259 TRIETHYLENE GLYCOL n/a
199 P18031_PIC PIC DB08397 1854 CHEMBL99447 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID n/a Ki(nM) = 22000.0
200 P18031_PO4 PO4 DB14523 1061 n/a PHOSPHATE ION n/a
201 P18031_PTR PTR DB01962 30819 CHEMBL286939 O-PHOSPHOTYROSINE n/a
202 P18031_SJA SJA n/a 11052747 n/a Amorphadiene n/a
203 P18031_SK2 SK2 DB08549 5327153 CHEMBL1185001 (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER n/a
204 P18031_SNA SNA DB03557 131704254 n/a N-{1-[5-(1-CARBAMOYL-2-MERCAPTO-ETHYLCARBAMOYL)-PENTYLCARBAMOYL]-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYL}-3-{2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ACETYLAMINO}-SUCCINAMIC ACID n/a
205 P18031_SO4 SO4 DB14546 1117 n/a SULFATE ION n/a
206 P18031_TBH TBH DB02977 5289442 n/a 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID inhibitor
207 P18031_TPI TPI DB03714 444695 n/a 4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBONYL]-AMINO}-BUTYRIC ACID n/a
208 P18031_TRS TRS DB03754 3777159;88088752;152743085; n/a 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL n/a
209 P18031_UN3 UN3 DB04800 5327154 n/a (2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-SULFAMIC ACID inhibitor Ki(nM) = 500000.0
210 P18031_UN5 UN5 n/a 5327156 CHEMBL204337 {3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID n/a
211 P18031_UN6 UN6 n/a 5327157 CHEMBL206655 (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID n/a
212 P18031_UN7 UN7 n/a 5327158 CHEMBL205997 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID n/a
213 P18031_V2O V2O n/a 155103226 n/a 5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione n/a
214 P18031_VO4 VO4 n/a 61672 n/a VANADATE ION n/a
215 P18031_WO4 WO4 n/a 24465 n/a TUNGSTATE(VI)ION n/a
216 P18031_WOV WOV n/a 767146 CHEMBL1765360 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid n/a
217 P18031_WUW WUW n/a 165430681 n/a (1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane n/a
218 P18031_WV0 WV0 n/a 3731012 n/a 5-fluoro-1,3-dihydro-2H-indol-2-one n/a
219 P18031_YW9 YW9 n/a 714550 n/a 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline n/a
220 P18031_YXF YXF n/a 168007538 n/a 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline n/a
221 P18031_YXN YXN n/a 45094620 n/a 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline n/a
222 P18031_ZD3 ZD3 n/a 168007539 n/a {(2S)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol n/a
223 P18031_ZD5 ZD5 n/a 168007540 n/a {(2R)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol n/a
224 P18031_ZYZ ZYZ DB08783 25111933 n/a (4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid n/a
225 P18031_T1D T1D DB08591 4369451 CHEMBL193233 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE n/a Ki(nM) = 2400.0
IC50(nM) = 2470.0
226 P18031_T2D T2D DB08593 4369452 CHEMBL190801 1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE inhibitor IC50(nM) = 2500.0
227 P18031_AIT AIT DB02615 449209 CHEMBL180792 Compound 19 n/a
228 P18031_OCS OCS DB03661 72886 n/a L-cysteic acid inhibitor
229 P18031_DB06333 n/a DB06333 n/a n/a Trodusquemine inhibitor
230 P18031_DB06521 n/a DB06521 n/a n/a Ertiprotafib inhibitor
231 P18031_PBF PBF DB08371 7020127;7020128; n/a p-Benzoyl-L-phenylalanine inhibitor