Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 566.0 BDBM50321622

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))	BDBM50321622 (CHEMBL1170609 | N-(2-chloro-5-(6-oxo-1-(3-(4-(2-ox...) Show SMILES Fc1ccc(cc1)C(=O)NCc1cc(ccc1Cl)-c1ccc(=O)n(CCCN2CCC(CC2)N2CCCC2=O)n1 Show InChI InChI=1S/C30H33ClFN5O3/c31-26-9-6-22(19-23(26)20-33-30(40)21-4-7-24(32)8-5-21)27-10-11-29(39)37(34-27)16-2-14-35-17-12-25(13-18-35)36-15-1-3-28(36)38/h4-11,19,25H,1-3,12-18,20H2,(H,33,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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: 4060-4 (2010) Article DOI: 10.1016/j.bmcl.2010.05.086 BindingDB Entry DOI: 10.7270/Q20Z747Q
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