BDBM50224386 CHEMBL399813::N-(4-methoxyphenethyl)-1-(2-chloro-2-phenylethyl)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

SMILES: COc1ccc(CCNc2nc(SC)nc3n(CC(Cl)c4ccccc4)ncc23)cc1

InChI Key: InChIKey=JFHHIPMWDZMUBP-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50224386   

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))	BDBM50224386 (CHEMBL399813 | N-(4-methoxyphenethyl)-1-(2-chloro-...) Show SMILES COc1ccc(CCNc2nc(SC)nc3n(CC(Cl)c4ccccc4)ncc23)cc1 |w:18.18| Show InChI InChI=1S/C23H24ClN5OS/c1-30-18-10-8-16(9-11-18)12-13-25-21-19-14-26-29(22(19)28-23(27-21)31-2)15-20(24)17-6-4-3-5-7-17/h3-11,14,20H,12-13,15H2,1-2H3,(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Src				J Med Chem 50: 5579-88 (2007) Article DOI: 10.1021/jm061449r BindingDB Entry DOI: 10.7270/Q2HX1CDW
					More data for this Ligand-Target Pair