Medvedev Lab DrugDomain Protein List Small Molecules Download GitHub
Ligand name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
PDB ligand accession: B49
DrugBank: DB01268
PubChem: 5329102
ChEMBL: CHEMBL535
InChI Key: WINHZLLDWRZWRT-ATVHPVEESA-N
SMILES: CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)F)C

ClassyFire chemical classification:

List of proteins that are targets for DB01268

# DrugDomain Data UniProt Accession Protein name Drug Action Affinity data
1 P35916_B49 P35916 Vascular endothelial growth inhibitor Ki(nM) = 17.0
IC50(nM) = 8.9
Kd(nM) = 35.0
2 P07333_B49 P07333 Macrophage colony-stimulating factor inhibitor IC50(nM) = 12.0
Kd(nM) = 2.0
3 P09619_B49 P09619 Platelet-derived growth factor inhibitor Ki(nM) = 8.0
IC50(nM) = 2.0
Kd(nM) = 0.075
4 P15735_B49 P15735 Phosphorylase b kinase n/a Kd(nM) = 5.9
5 A5H025_B49 A5H025 Ribonuclease L n/a
6 Q9H8M2_B49 Q9H8M2 Bromodomain-containing protein 9 n/a Kd(nM) = 17000.0
7 Q08881_B49 Q08881 Tyrosine-protein kinase ITK/TSK n/a Kd(nM) = 13.0
8 Q92918_B49 Q92918 Mitogen-activated protein kinase n/a Kd(nM) = 16.0
9 Q9Y6E0_B49 Q9Y6E0 Serine/threonine-protein kinase 24 n/a Kd(nM) = 63.0
10 P16234_B49 P16234 Platelet-derived growth factor inhibitor IC50(nM) = 6.9
Kd(nM) = 0.79
11 P10721_B49 P10721 Mast/stem cell growth inhibitor Ki(nM) = 4.0
IC50(nM) = 0.8
Kd(nM) = 0.21
12 Q9NQU5_B49 Q9NQU5 Serine/threonine-protein kinase PAK n/a Ki(nM) = 500.0
Kd(nM) = 2400.0
13 P35968_B49 P35968 Vascular endothelial growth inhibitor Ki(nM) = 2.9
IC50(nM) = 0.4
Kd(nM) = 0.13
14 P36888_B49 P36888 Receptor-type tyrosine-protein kinase inhibitor IC50(nM) = 0.7
Kd(nM) = 0.22
15 P17948_B49 P17948 Vascular endothelial growth inhibitor Ki(nM) = 2.0
IC50(nM) = 1.0
Kd(nM) = 1.8
16 P08581_B49 P08581 Hepatocyte growth factor inhibitor IC50(nM) = 5000.0
Kd(nM) = 1200.0
17 P24941_B49 P24941 Cyclin-dependent kinase 2 n/a IC50(nM) = 130000.0
Kd(nM) = 10000.0