Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM331604'   

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))	BDBM331604 (N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...) Show SMILES Cc1cc(cnn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12 Show InChI InChI=1S/C24H27ClN4O4S/c1-13-9-15(10-26-28-13)18-7-8-19(34-18)23(31)27-20(14-5-3-2-4-6-14)24(32)29-11-16(25)22-21(29)17(30)12-33-22/h7-10,14,16,20-22H,2-6,11-12H2,1H3,(H,27,31)/t16-,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GRUNENTHAL GMBH US Patent					Assay Description Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...				US Patent US9725459 (2017) BindingDB Entry DOI: 10.7270/Q2JH3P8R
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