Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 533.5 BDBM315338

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kJ/mol)

Found 1 hit in this display   

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))	BDBM315338 (3-{1-[5-Methyl-2-(4- trifluoromethanesulfonyl- phe...) Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)N1Cc2ccccc2NC1=O)-c1ccc(cc1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C25H26F3N5O3S/c1-16-22(30-23(29-16)17-6-8-20(9-7-17)37(35,36)25(26,27)28)15-32-12-10-19(11-13-32)33-14-18-4-2-3-5-21(18)31-24(33)34/h2-9,19H,10-15H2,1H3,(H,29,30)(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	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 US10172843 (2019) BindingDB Entry DOI: 10.7270/Q2R213FK
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