BDBM50177510 CHEMBL204079::tert-butyl N-[(1E,2S)-1-{[(phenylcarbamoyl)amino]imino}hexan-2-yl]carbamate

SMILES: CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)Nc1ccccc1

InChI Key: InChIKey=JSSPXSZSKGUFLI-HNNXBMFYSA-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 = 50177510   

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))	BDBM50177510 (CHEMBL204079 | tert-butyl N-[(1E,2S)-1-{[(phenylca...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)Nc1ccccc1 |w:14.14| Show InChI InChI=1S/C18H28N4O3/c1-5-6-10-15(21-17(24)25-18(2,3)4)13-19-22-16(23)20-14-11-8-7-9-12-14/h7-9,11-13,15H,5-6,10H2,1-4H3,(H,21,24)(H2,20,22,23)/t15-/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	400	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