BDBM50294001 (E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide::CHEMBL564726

SMILES: Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=CBDXOWDLLARHRY-MDZDMXLPSA-N

Data: 2 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 2 hits for monomerid = 50294001   

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 ABL1 (Homo sapiens (Human))	BDBM50294001 ((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...) Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N6O/c1-15-5-6-17(24(35)33-20-4-2-3-18(12-20)25(26,27)28)11-16(15)9-10-34-14-31-21-22(32-19-7-8-19)29-13-30-23(21)34/h2-6,9-14,19H,7-8H2,1H3,(H,33,35)(H,29,30,32)/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of wild type human Abl kinase by TR-FRET assay				J Med Chem 52: 4743-56 (2009) Article DOI: 10.1021/jm900166t BindingDB Entry DOI: 10.7270/Q2BC3ZKV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50294001 ((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...) Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N6O/c1-15-5-6-17(24(35)33-20-4-2-3-18(12-20)25(26,27)28)11-16(15)9-10-34-14-31-21-22(32-19-7-8-19)29-13-30-23(21)34/h2-6,9-14,19H,7-8H2,1H3,(H,33,35)(H,29,30,32)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Src kinase by TR-FRET assay				J Med Chem 52: 4743-56 (2009) Article DOI: 10.1021/jm900166t BindingDB Entry DOI: 10.7270/Q2BC3ZKV
					More data for this Ligand-Target Pair