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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 19828   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin K


(Oryctolagus cuniculus (rabbit))
BDBM19828
PNG
((1R,2R)-2-{[(3-chlorophenyl)sulfanyl]methyl}-N-(cy...)
Show SMILES Clc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|
Show InChI InChI=1S/C16H19ClN2OS/c17-13-5-3-6-14(10-13)21-11-12-4-1-2-7-15(12)16(20)19-9-8-18/h3,5-6,10,12,15H,1-2,4,7,9,11H2,(H,19,20)/t12-,15+/m0/s1
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Article
PubMed
n/an/a 200n/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
Procathepsin L


(Homo sapiens (Human))
BDBM19828
PNG
((1R,2R)-2-{[(3-chlorophenyl)sulfanyl]methyl}-N-(cy...)
Show SMILES Clc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|
Show InChI InChI=1S/C16H19ClN2OS/c17-13-5-3-6-14(10-13)21-11-12-4-1-2-7-15(12)16(20)19-9-8-18/h3,5-6,10,12,15H,1-2,4,7,9,11H2,(H,19,20)/t12-,15+/m0/s1
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Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of cathepsin L


J Med Chem 55: 2932-42 (2012)


Article DOI: 10.1021/jm201706b
BindingDB Entry DOI: 10.7270/Q2RJ4KGS
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM19828
PNG
((1R,2R)-2-{[(3-chlorophenyl)sulfanyl]methyl}-N-(cy...)
Show SMILES Clc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|
Show InChI InChI=1S/C16H19ClN2OS/c17-13-5-3-6-14(10-13)21-11-12-4-1-2-7-15(12)16(20)19-9-8-18/h3,5-6,10,12,15H,1-2,4,7,9,11H2,(H,19,20)/t12-,15+/m0/s1
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Article
PubMed
n/an/a 1.02E+5n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of cathepsin B


J Med Chem 55: 2932-42 (2012)


Article DOI: 10.1021/jm201706b
BindingDB Entry DOI: 10.7270/Q2RJ4KGS
More data for this
Ligand-Target Pair