Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 513.1 BDBM50314153

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))	BDBM50314153 (4-(3-(3-(4-chloro-3-(propylthio)phenyl)-5-(methyls...) Show SMILES CCCSc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O Show InChI InChI=1S/C23H33ClN4O3S2/c1-3-15-32-22-16-18(5-6-20(22)24)23-19-17-27(33(2,29)30)10-7-21(19)28(25-23)9-4-8-26-11-13-31-14-12-26/h5-6,16H,3-4,7-15,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 20: 2370-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.108 BindingDB Entry DOI: 10.7270/Q2G160Z4
					More data for this Ligand-Target Pair