Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsin-C' and Ligand = 'BDBM93337'   

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))	BDBM93337 (Sul-49) Show SMILES [O-]S(=O)(=O)CCCC[n+]1c(\C=C\c2c([nH]c3ccccc23)-c2ccccc2)ccc2ccccc12 Show InChI InChI=1S/C29H26N2O3S/c32-35(33,34)21-9-8-20-31-24(17-16-22-10-4-7-15-28(22)31)18-19-26-25-13-5-6-14-27(25)30-29(26)23-11-2-1-3-12-23/h1-7,10-19H,8-9,20-21H2,(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.90E+5	n/a	n/a	n/a	7.4	n/a
New York University					Assay Description Fluorescence titration using alpha-chymotrypsin.				J Comb Chem 10: 460-5 (2008) Article DOI: 10.1021/cc700189b BindingDB Entry DOI: 10.7270/Q2V123CN
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