Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutathione S-transferase A2' and Ligand = 'BDBM50111440'   

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
Glutathione S-transferase A2 (Homo sapiens (Human))	BDBM50111440 (4-(1-carbamoyl-4-methylpentanamide-2-yl-cyclopropy...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP([O-])([O-])=O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NC1(CC1)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C56H74ClN10O14PS/c1-31(2)24-42(47(58)71)64-54(78)56(21-22-56)67-52(76)39(18-19-46(69)70)61-50(74)45(27-36-29-59-41-28-37(57)16-17-38(36)41)63-49(73)44(26-34-12-14-35(15-13-34)30-82(79,80)81)65-53(77)55(4,5)66-51(75)40(20-23-83-6)62-48(72)43(60-32(3)68)25-33-10-8-7-9-11-33/h7-17,28-29,31,39-40,42-45,59H,18-27,30H2,1-6H3,(H2,58,71)(H,60,68)(H,61,74)(H,62,72)(H,63,73)(H,64,78)(H,65,77)(H,66,75)(H,67,76)(H,69,70)(H2,79,80,81)/p-2/t39-,40-,42-,43-,44-,45-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of p53 binding to Glutathione S-transferase 2 (hdm2-GST)				J Med Chem 45: 1543-58 (2002) BindingDB Entry DOI: 10.7270/Q2CN74ND
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