Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 479.5 BDBM315339

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

Found 1 hit in this display   

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))	BDBM315339 (1-{1-[2-(4- Methanesulfonyl- phenyl)-5-methyl-1H- ...) Show SMILES Cc1[nH]c(nc1CN1CCC(CC1)n1c2ccccc2n(C)c1=O)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C25H29N5O3S/c1-17-21(27-24(26-17)18-8-10-20(11-9-18)34(3,32)33)16-29-14-12-19(13-15-29)30-23-7-5-4-6-22(23)28(2)25(30)31/h4-11,19H,12-16H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	175	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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