Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM240622'   

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))	BDBM240622 (US9409882, 27) Show SMILES C[C@H](Oc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1CC(N(C1)C(=O)C1(CC1)c1ncc(Cl)cc1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C27H24Cl2F4N4O5S/c1-14(27(31,32)33)42-16-2-3-21(18(29)9-16)43(40,41)17-10-20(23(38)36-25(13-34)4-5-25)37(12-17)24(39)26(6-7-26)22-19(30)8-15(28)11-35-22/h2-3,8-9,11,14,17,20H,4-7,10,12H2,1H3,(H,36,38)/t14-,17+,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	6.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore wh...				US Patent US9409882 (2016) BindingDB Entry DOI: 10.7270/Q2B56HNF
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