BDBM50177512 CHEMBL438798::{(S)-1-[(2,2,2-trifluoro-acetyl)-hydrazonomethyl]-pentyl}-carbamic acid tert-butyl ester

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

InChI Key: InChIKey=GIRLGOAOXNSBKP-VIFPVBQESA-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 = 50177512   

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))	BDBM50177512 (CHEMBL438798 | {(S)-1-[(2,2,2-trifluoro-acetyl)-hy...) Show SMILES CCCC[C@H](NC(=O)OC(C)(C)C)C=NNC(=O)C(F)(F)F |w:14.14| Show InChI InChI=1S/C13H22F3N3O3/c1-5-6-7-9(18-11(21)22-12(2,3)4)8-17-19-10(20)13(14,15)16/h8-9H,5-7H2,1-4H3,(H,18,21)(H,19,20)/t9-/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	24	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