BDBM50374611 CHEMBL406684

SMILES: COc1ccc(Cl)cc1-n1c2nc3ccccc3n2c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O

InChI Key: InChIKey=FDPLIHXZXBGSNP-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50374611   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50374611 (CHEMBL406684) Show SMILES COc1ccc(Cl)cc1-n1c2nc3ccccc3n2c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |(29.7,-42.87,;29.7,-44.41,;31.04,-45.18,;32.37,-44.41,;33.71,-45.18,;33.7,-46.72,;35.03,-47.5,;32.37,-47.49,;31.04,-46.72,;29.71,-47.48,;29.7,-49.03,;30.85,-50.07,;30.21,-51.47,;30.83,-52.87,;29.93,-54.11,;28.39,-53.94,;27.78,-52.53,;28.69,-51.3,;28.37,-49.8,;27.03,-49.03,;25.69,-49.8,;24.36,-49.03,;23.03,-49.8,;21.7,-49.03,;21.71,-47.49,;20.38,-46.72,;19.04,-47.48,;19.04,-49.03,;20.38,-49.8,;17.71,-46.71,;17.71,-45.18,;16.39,-44.41,;15.05,-45.17,;13.72,-44.4,;15.04,-46.71,;16.38,-47.49,;24.37,-47.49,;25.69,-46.72,;27.03,-47.48,;28.37,-46.7,;28.36,-45.16,)| Show InChI InChI=1S/C30H27ClN8O2/c1-36-13-15-37(16-14-36)21-10-8-20(9-11-21)33-29-32-18-22-27(35-29)38-24-6-4-3-5-23(24)34-30(38)39(28(22)40)25-17-19(31)7-12-26(25)41-2/h3-12,17-18H,13-16H2,1-2H3,(H,32,33,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Lck by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50374611 (CHEMBL406684) Show SMILES COc1ccc(Cl)cc1-n1c2nc3ccccc3n2c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |(29.7,-42.87,;29.7,-44.41,;31.04,-45.18,;32.37,-44.41,;33.71,-45.18,;33.7,-46.72,;35.03,-47.5,;32.37,-47.49,;31.04,-46.72,;29.71,-47.48,;29.7,-49.03,;30.85,-50.07,;30.21,-51.47,;30.83,-52.87,;29.93,-54.11,;28.39,-53.94,;27.78,-52.53,;28.69,-51.3,;28.37,-49.8,;27.03,-49.03,;25.69,-49.8,;24.36,-49.03,;23.03,-49.8,;21.7,-49.03,;21.71,-47.49,;20.38,-46.72,;19.04,-47.48,;19.04,-49.03,;20.38,-49.8,;17.71,-46.71,;17.71,-45.18,;16.39,-44.41,;15.05,-45.17,;13.72,-44.4,;15.04,-46.71,;16.38,-47.49,;24.37,-47.49,;25.69,-46.72,;27.03,-47.48,;28.37,-46.7,;28.36,-45.16,)| Show InChI InChI=1S/C30H27ClN8O2/c1-36-13-15-37(16-14-36)21-10-8-20(9-11-21)33-29-32-18-22-27(35-29)38-24-6-4-3-5-23(24)34-30(38)39(28(22)40)25-17-19(31)7-12-26(25)41-2/h3-12,17-18H,13-16H2,1-2H3,(H,32,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of KDR by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50374611 (CHEMBL406684) Show SMILES COc1ccc(Cl)cc1-n1c2nc3ccccc3n2c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |(29.7,-42.87,;29.7,-44.41,;31.04,-45.18,;32.37,-44.41,;33.71,-45.18,;33.7,-46.72,;35.03,-47.5,;32.37,-47.49,;31.04,-46.72,;29.71,-47.48,;29.7,-49.03,;30.85,-50.07,;30.21,-51.47,;30.83,-52.87,;29.93,-54.11,;28.39,-53.94,;27.78,-52.53,;28.69,-51.3,;28.37,-49.8,;27.03,-49.03,;25.69,-49.8,;24.36,-49.03,;23.03,-49.8,;21.7,-49.03,;21.71,-47.49,;20.38,-46.72,;19.04,-47.48,;19.04,-49.03,;20.38,-49.8,;17.71,-46.71,;17.71,-45.18,;16.39,-44.41,;15.05,-45.17,;13.72,-44.4,;15.04,-46.71,;16.38,-47.49,;24.37,-47.49,;25.69,-46.72,;27.03,-47.48,;28.37,-46.7,;28.36,-45.16,)| Show InChI InChI=1S/C30H27ClN8O2/c1-36-13-15-37(16-14-36)21-10-8-20(9-11-21)33-29-32-18-22-27(35-29)38-24-6-4-3-5-23(24)34-30(38)39(28(22)40)25-17-19(31)7-12-26(25)41-2/h3-12,17-18H,13-16H2,1-2H3,(H,32,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Src by HTRF assay				J Med Chem 51: 1637-48 (2008) Article DOI: 10.1021/jm701095m BindingDB Entry DOI: 10.7270/Q23B6114
					More data for this Ligand-Target Pair