null

SMILES: Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(ccc1F)C(F)(F)F

InChI Key: InChIKey=DFUFJHCAPIDDRE-CMDGGOBGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50294003   

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))	BDBM50294003 ((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...) Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C25H20F4N6O/c1-14-2-3-16(24(36)34-20-11-17(25(27,28)29)4-7-19(20)26)10-15(14)8-9-35-13-32-21-22(33-18-5-6-18)30-12-31-23(21)35/h2-4,7-13,18H,5-6H2,1H3,(H,34,36)(H,30,31,33)/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.36E+5	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))	BDBM50294003 ((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...) Show SMILES Cc1ccc(cc1\C=C\n1cnc2c(NC3CC3)ncnc12)C(=O)Nc1cc(ccc1F)C(F)(F)F Show InChI InChI=1S/C25H20F4N6O/c1-14-2-3-16(24(36)34-20-11-17(25(27,28)29)4-7-19(20)26)10-15(14)8-9-35-13-32-21-22(33-18-5-6-18)30-12-31-23(21)35/h2-4,7-13,18H,5-6H2,1H3,(H,34,36)(H,30,31,33)/b9-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+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