BDBM50244572 9-(2,6-dimethylstyryl)-N-(4-(dimethylphosphoryl)phenyl)-2-(pyrrolidin-1-yl)-9H-purin-6-amine::CHEMBL451790

SMILES: Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)nc(nc12)N1CCCC1

InChI Key: InChIKey=MFDCEMLTTQCDTH-SAPNQHFASA-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 = 50244572   

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))	BDBM50244572 (9-(2,6-dimethylstyryl)-N-(4-(dimethylphosphoryl)ph...) Show SMILES Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)nc(nc12)N1CCCC1 Show InChI InChI=1S/C27H31N6OP/c1-19-8-7-9-20(2)23(19)14-17-33-18-28-24-25(29-21-10-12-22(13-11-21)35(3,4)34)30-27(31-26(24)33)32-15-5-6-16-32/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,29,30,31)/b17-14+	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	20	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Abl kinase				Bioorg Med Chem Lett 18: 4907-12 (2008) Article DOI: 10.1016/j.bmcl.2008.06.042 BindingDB Entry DOI: 10.7270/Q2H41R78
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50244572 (9-(2,6-dimethylstyryl)-N-(4-(dimethylphosphoryl)ph...) Show SMILES Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)nc(nc12)N1CCCC1 Show InChI InChI=1S/C27H31N6OP/c1-19-8-7-9-20(2)23(19)14-17-33-18-28-24-25(29-21-10-12-22(13-11-21)35(3,4)34)30-27(31-26(24)33)32-15-5-6-16-32/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,29,30,31)/b17-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	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				Bioorg Med Chem Lett 18: 4907-12 (2008) Article DOI: 10.1016/j.bmcl.2008.06.042 BindingDB Entry DOI: 10.7270/Q2H41R78
					More data for this Ligand-Target Pair