BDBM50096366 Benzofuran-2-carboxylic acid [(S)-3-methyl-1-(4-oxo-tetrahydro-furan-3-ylcarbamoyl)-butyl]-amide::CHEMBL300347

SMILES: CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NC1COCC1=O

InChI Key: InChIKey=CKSKHLPQYLSTPZ-LSLKUGRBSA-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 = 50096366   

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))	BDBM50096366 (Benzofuran-2-carboxylic acid [(S)-3-methyl-1-(4-ox...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NC1COCC1=O Show InChI InChI=1S/C19H22N2O5/c1-11(2)7-13(18(23)21-14-9-25-10-15(14)22)20-19(24)17-8-12-5-3-4-6-16(12)26-17/h3-6,8,11,13-14H,7,9-10H2,1-2H3,(H,20,24)(H,21,23)/t13-,14?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human cysteine protease, cathepsin K.				Bioorg Med Chem Lett 11: 195-8 (2001) BindingDB Entry DOI: 10.7270/Q2ZP45CQ
					More data for this Ligand-Target Pair				3D Structure (docked)