Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 527.5 BDBM315320

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))	BDBM315320 (1-(2-Methoxy-ethyl)-3- {1-[5-methyl-2-(4- trifluor...) Show SMILES COCCN1C(=O)N(Cc2ccccc12)C1CCN(Cc2nc([nH]c2C)-c2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C28H32F3N5O2/c1-19-24(33-26(32-19)20-7-9-22(10-8-20)28(29,30)31)18-34-13-11-23(12-14-34)36-17-21-5-3-4-6-25(21)35(27(36)37)15-16-38-2/h3-10,23H,11-18H2,1-2H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	135	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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