BDBM129713 US8802665, 46

SMILES: FC(F)(F)c1cccc(c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)N1CCCCC1)C(=O)NC1(CC1)C#N

InChI Key: InChIKey=LMLXIBJIDXADKU-UXHICEINSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 129713   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin S (Homo sapiens (Human))	BDBM129713 (US8802665, 46) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)N1CCCCC1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H29F3N4O4S/c26-25(27,28)17-5-4-6-18(13-17)37(35,36)19-14-20(21(33)30-23(16-29)7-8-23)32(15-19)22(34)24(9-10-24)31-11-2-1-3-12-31/h4-6,13,19-20H,1-3,7-12,14-15H2,(H,30,33)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	6.5	n/a
Genentech, 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 US8802665 (2014) BindingDB Entry DOI: 10.7270/Q2K64GR4
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