Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM19580'   

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 S (Homo sapiens (Human))	BDBM19580 ((2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]eth...) Show SMILES COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cnn(c2C)-c2ccccc2)cc1 |r| Show InChI InChI=1S/C29H37N5O3/c1-21-26(20-32-34(21)24-11-7-4-8-12-24)28(35)33-27(19-22-9-5-3-6-10-22)29(36)31-18-17-30-23-13-15-25(37-2)16-14-23/h4,7-8,11-16,20,22,27,30H,3,5-6,9-10,17-19H2,1-2H3,(H,31,36)(H,33,35)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GNF					Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...				Bioorg Med Chem Lett 15: 4979-84 (2005) Article DOI: 10.1016/j.bmcl.2005.08.017 BindingDB Entry DOI: 10.7270/Q2ZG6QJ8
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