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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50263554   
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 S


(Homo sapiens (Human))
BDBM50263554
PNG
(2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)etho...)
Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N
Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-17-19-4-11-25(12-5-19)9-3-10-25)29-20(16-26)30-24(21)33-15-8-18-6-13-31(2)14-7-18/h18-19H,3-15,17H2,1-2H3,(H,27,32)(H,28,29,30)
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PubMed
n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay


Bioorg Med Chem Lett 18: 5280-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50263554
PNG
(2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)etho...)
Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N
Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-17-19-4-11-25(12-5-19)9-3-10-25)29-20(16-26)30-24(21)33-15-8-18-6-13-31(2)14-7-18/h18-19H,3-15,17H2,1-2H3,(H,27,32)(H,28,29,30)
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n/an/a 420n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG in HEK293 cells


Bioorg Med Chem Lett 18: 5280-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50263554
PNG
(2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)etho...)
Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N
Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-17-19-4-11-25(12-5-19)9-3-10-25)29-20(16-26)30-24(21)33-15-8-18-6-13-31(2)14-7-18/h18-19H,3-15,17H2,1-2H3,(H,27,32)(H,28,29,30)
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Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin L by fluorometric assay


Bioorg Med Chem Lett 18: 5280-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.067
BindingDB Entry DOI: 10.7270/Q2736QQ6
More data for this
Ligand-Target Pair