Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50111437'   

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))	BDBM50111437 (4-[2-Acetylamino-2-(3-carbamoyl-2-cyclohexylmethox...) Show SMILES CC(=O)NC(Cc1ccc(C(O)=O)c(C=O)c1)C(=O)N[C@H]1CCCCc2cc(OCC3CCCCC3)c(cc12)C(N)=O Show InChI InChI=1S/C32H39N3O7/c1-19(37)34-28(14-21-11-12-24(32(40)41)23(13-21)17-36)31(39)35-27-10-6-5-9-22-15-29(26(30(33)38)16-25(22)27)42-18-20-7-3-2-4-8-20/h11-13,15-17,20,27-28H,2-10,14,18H2,1H3,(H2,33,38)(H,34,37)(H,35,39)(H,40,41)/t27-,28?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of binding to Src SH2 domain				J Med Chem 45: 1543-58 (2002) BindingDB Entry DOI: 10.7270/Q2CN74ND
					More data for this Ligand-Target Pair