BDBM50244386 9-(2,6-dimethylstyryl)-N-(4-(dipropylphosphoryl)phenyl)-2-isopropyl-9H-purin-6-amine::CHEMBL520540

SMILES: CCCP(=O)(CCC)c1ccc(Nc2nc(nc3n(\C=C/c4c(C)cccc4C)cnc23)C(C)C)cc1

InChI Key: InChIKey=KIHQVERTLRHJED-MSUUIHNZSA-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 = 50244386   

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))	BDBM50244386 (9-(2,6-dimethylstyryl)-N-(4-(dipropylphosphoryl)ph...) Show SMILES CCCP(=O)(CCC)c1ccc(Nc2nc(nc3n(\C=C/c4c(C)cccc4C)cnc23)C(C)C)cc1 Show InChI InChI=1S/C30H38N5OP/c1-7-18-37(36,19-8-2)25-14-12-24(13-15-25)32-29-27-30(34-28(33-29)21(3)4)35(20-31-27)17-16-26-22(5)10-9-11-23(26)6/h9-17,20-21H,7-8,18-19H2,1-6H3,(H,32,33,34)/b17-16-	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	54	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))	BDBM50244386 (9-(2,6-dimethylstyryl)-N-(4-(dipropylphosphoryl)ph...) Show SMILES CCCP(=O)(CCC)c1ccc(Nc2nc(nc3n(\C=C/c4c(C)cccc4C)cnc23)C(C)C)cc1 Show InChI InChI=1S/C30H38N5OP/c1-7-18-37(36,19-8-2)25-14-12-24(13-15-25)32-29-27-30(34-28(33-29)21(3)4)35(20-31-27)17-16-26-22(5)10-9-11-23(26)6/h9-17,20-21H,7-8,18-19H2,1-6H3,(H,32,33,34)/b17-16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	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