BDBM50294012 (E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl)-4-methyl-N-(3-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)benzamide::CHEMBL559826::N-(3-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(2-(6-(cyclopropylamino)-9H-purin-9-yl)vinyl)-4-methylbenzamide

SMILES: Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1

InChI Key: InChIKey=VPICTYHNLMNLMP-SOFGYWHQSA-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 = 50294012   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50294012 ((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...) Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1 Show InChI InChI=1S/C28H23F3N8O/c1-17-2-3-19(27(40)37-22-11-20(28(29,30)31)12-23(13-22)38-9-7-32-15-38)10-18(17)6-8-39-16-35-24-25(36-21-4-5-21)33-14-34-26(24)39/h2-3,6-16,21H,4-5H2,1H3,(H,37,40)(H,33,34,36)/b8-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50294012 ((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...) Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1 Show InChI InChI=1S/C28H23F3N8O/c1-17-2-3-19(27(40)37-22-11-20(28(29,30)31)12-23(13-22)38-9-7-32-15-38)10-18(17)6-8-39-16-35-24-25(36-21-4-5-21)33-14-34-26(24)39/h2-3,6-16,21H,4-5H2,1H3,(H,37,40)(H,33,34,36)/b8-6+	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	13	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 after 1 hr by TR-FRET assay				J Med Chem 53: 4701-19 (2010) Article DOI: 10.1021/jm100395q BindingDB Entry DOI: 10.7270/Q27P8ZKX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50294012 ((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...) Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1 Show InChI InChI=1S/C28H23F3N8O/c1-17-2-3-19(27(40)37-22-11-20(28(29,30)31)12-23(13-22)38-9-7-32-15-38)10-18(17)6-8-39-16-35-24-25(36-21-4-5-21)33-14-34-26(24)39/h2-3,6-16,21H,4-5H2,1H3,(H,37,40)(H,33,34,36)/b8-6+	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	1.30E+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