BDBM50066654 CHEMBL404801::{(S)-1-[(1S,3S)-3-((S)-2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-2-oxo-cyclopentylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester

SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C1=O

InChI Key: InChIKey=KQSZYLJEZOPGFG-LJWNLINESA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50066654   

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 K (Homo sapiens (Human))	BDBM50066654 (CHEMBL404801 | {(S)-1-[(1S,3S)-3-((S)-2-Benzyloxyc...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C33H44N4O7/c1-21(2)17-27(36-32(41)43-19-23-11-7-5-8-12-23)30(39)34-25-15-16-26(29(25)38)35-31(40)28(18-22(3)4)37-33(42)44-20-24-13-9-6-10-14-24/h5-14,21-22,25-28H,15-20H2,1-4H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t25-,26-,27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin K				J Med Chem 41: 3563-7 (1998) Article DOI: 10.1021/jm980295f BindingDB Entry DOI: 10.7270/Q2G15ZZB
					More data for this Ligand-Target Pair				3D Structure (docked)