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BDBM19819 (1R,2R)-2-{[(4-chlorophenyl)sulfanyl]methyl}-N-(cyanomethyl)cyclohexane-1-carboxamide::Cyclohexanecarboxamide derivative, 12c::racemic mixture

SMILES: Clc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1

InChI Key: InChIKey=NKKZUQQTYNSINY-SWLSCSKDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 19819   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cathepsin K


(Oryctolagus cuniculus (rabbit))
BDBM19819
PNG
((1R,2R)-2-{[(4-chlorophenyl)sulfanyl]methyl}-N-(cy...)
Show SMILES Clc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1 |r|
Show InChI InChI=1S/C16H19ClN2OS/c17-13-5-7-14(8-6-13)21-11-12-3-1-2-4-15(12)16(20)19-10-9-18/h5-8,12,15H,1-4,10-11H2,(H,19,20)/t12-,15+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/a5.522



Merck Frosst Centre for Therapeutic Research



Assay Description
Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...


J Med Chem 49: 1066-79 (2006)


Article DOI: 10.1021/jm051059p
BindingDB Entry DOI: 10.7270/Q2DF6PH3
More data for this
Ligand-Target Pair