BDBM50066649 CHEMBL117790::{(S)-1-[(1R,3R)-3-((S)-2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-2-oxo-cyclohexylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester

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

InChI Key: InChIKey=LORGUYKWJMFEHR-GKQHHHCTSA-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 = 50066649   

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))	BDBM50066649 (CHEMBL117790 | {(S)-1-[(1R,3R)-3-((S)-2-Benzyloxyc...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C1=O Show InChI InChI=1S/C34H46N4O7/c1-22(2)18-28(37-33(42)44-20-24-12-7-5-8-13-24)31(40)35-26-16-11-17-27(30(26)39)36-32(41)29(19-23(3)4)38-34(43)45-21-25-14-9-6-10-15-25/h5-10,12-15,22-23,26-29H,11,16-21H2,1-4H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t26-,27-,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	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