Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM50015857'   

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
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50015857 (3-Acetoxymethyl-5,5,8-trioxo-7-phenylacetoxy-5lamb...) Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(=O)Cc3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5| Show InChI InChI=1S/C22H25NO9S/c1-13(24)30-11-15-12-33(28,29)20-18(31-16(25)10-14-8-6-5-7-9-14)19(26)23(20)17(15)21(27)32-22(2,3)4/h5-9,18,20H,10-12H2,1-4H3/t18-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration which is required to cause 50% inhibition of alpha-chymotrypsin enzyme				J Med Chem 33: 2513-21 (1990) BindingDB Entry DOI: 10.7270/Q2Q81C2Q
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