BDBM50177518 CHEMBL203719::tert-butyl N-[(1E,2S)-1-({methyl[(2-phenylethyl)carbamoyl]amino}imino)hexan-2-yl]carbamate

SMILES: CCCC[C@H](NC(=O)OC(C)(C)C)C=NN(C)C(=O)NCCc1ccccc1

InChI Key: InChIKey=JLVGCSGEPQMTQI-SFHVURJKSA-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 = 50177518   

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))	BDBM50177518 (CHEMBL203719 | tert-butyl N-[(1E,2S)-1-({methyl[(2...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NN(C)C(=O)NCCc1ccccc1 |w:14.14| Show InChI InChI=1S/C21H34N4O3/c1-6-7-13-18(24-20(27)28-21(2,3)4)16-23-25(5)19(26)22-15-14-17-11-9-8-10-12-17/h8-12,16,18H,6-7,13-15H2,1-5H3,(H,22,26)(H,24,27)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	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