Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsin-C' and Ligand = 'BDBM87058'   

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
Chymotrypsin-C (Homo sapiens (Human))	BDBM87058 (Lignan, 3 | MLS000034632 | N-tert-Butyl-N-(tert-bu...) Show SMILES CC(C)(C)NC(=O)CN(C(=O)CCN1CCCc2ccccc12)C(C)(C)C Show InChI InChI=1S/C22H35N3O2/c1-21(2,3)23-19(26)16-25(22(4,5)6)20(27)13-15-24-14-9-11-17-10-7-8-12-18(17)24/h7-8,10,12H,9,11,13-16H2,1-6H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.18E+4	-25.7	n/a	n/a	n/a	n/a	n/a	7.6	25
University of Karachi					Assay Description Chymotrypsin inhibitory activity of compunds was perfomred by the method of Cannel.				J Enzyme Inhib Med Chem 23: 400-5 (2008) Article DOI: 10.1080/14756360701584653 BindingDB Entry DOI: 10.7270/Q2JS9P23
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