Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM120821'   

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
Cathepsin B (Capra hircus (Goat))	BDBM120821 (N-formyl-5-(-2'-chlorophenyl)-3-phenylpyrazoli...) Show SMILES Clc1ccccc1C1CC(=NN1C=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c17-14-9-5-4-8-13(14)16-10-15(18-19(16)11-20)12-6-2-1-3-7-12/h1-9,11,16H,10H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.180	-57.9	n/a	n/a	n/a	n/a	n/a	6.0	37
Kurukshetra University					Assay Description Enzyme was equilibrated in 0.1 M phosphate buffer, pH 6.0 at 37 °C. All compounds were prepared in DMSO. Various concentrations of compounds we...				Bioorg Chem 57: 43-50 (2014) Article DOI: 10.1016/j.bioorg.2014.07.012 BindingDB Entry DOI: 10.7270/Q26Q1VXJ
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