BDBM50177509 CHEMBL382947::{(S)-3-methyl-1-[(morpholine-4-carbonyl)-hydrazonomethyl]-butyl}-carbamic acid tert-butyl ester

SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCOCC1

InChI Key: InChIKey=VFMBSMVGTMFNQZ-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 = 50177509   

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))	BDBM50177509 (CHEMBL382947 | {(S)-3-methyl-1-[(morpholine-4-carb...) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)N1CCOCC1 |w:14.14| Show InChI InChI=1S/C16H30N4O4/c1-12(2)10-13(18-15(22)24-16(3,4)5)11-17-19-14(21)20-6-8-23-9-7-20/h11-13H,6-10H2,1-5H3,(H,18,22)(H,19,21)/t13-/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	110	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