BDBM50177499 CHEMBL204907::ethyl 3-({N'-[(1E,2S)-2-{[(tert-butoxy)carbonyl]amino}hexylidene]hydrazinecarbonyl}amino)propanoate

SMILES: CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)NCCC(=O)OCC

InChI Key: InChIKey=OHOFYWXYIXWBSC-ZDUSSCGKSA-N

Data: 1 IC50

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 = 50177499   

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))	BDBM50177499 (CHEMBL204907 | ethyl 3-({N'-[(1E,2S)-2-{[(tert-but...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)NCCC(=O)OCC |w:14.14| Show InChI InChI=1S/C17H32N4O5/c1-6-8-9-13(20-16(24)26-17(3,4)5)12-19-21-15(23)18-11-10-14(22)25-7-2/h12-13H,6-11H2,1-5H3,(H,20,24)(H2,18,21,23)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin K in a fluorescence assay				Bioorg Med Chem Lett 16: 978-83 (2006) Article DOI: 10.1016/j.bmcl.2005.10.108 BindingDB Entry DOI: 10.7270/Q2X929VS
					More data for this Ligand-Target Pair