Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50086449'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50086449 (CHEMBL3426224 | US10266537, Compound 8) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C)c4ncnc(N)c34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H29F3N8O/c1-18-4-5-20(14-19(18)7-9-24-25-26(33)34-17-35-27(25)39(3)37-24)28(41)36-22-8-6-21(23(15-22)29(30,31)32)16-40-12-10-38(2)11-13-40/h4-6,8,14-15,17H,10-13,16H2,1-3H3,(H,36,41)(H2,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human Src				J Med Chem 58: 3957-74 (2015) Article DOI: 10.1021/acs.jmedchem.5b00270 BindingDB Entry DOI: 10.7270/Q2J38V91
					More data for this Ligand-Target Pair