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BDBM50243845 3,5-Dichloro-N-[1-(4-methyl-benzyl)-piperidin-4-ylmethyl]-benzamide::CHEMBL488295

SMILES: Cc1ccc(CN2CCC(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1

InChI Key: InChIKey=VRVONDCSZOZMRU-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50243845   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50243845
PNG
(3,5-Dichloro-N-[1-(4-methyl-benzyl)-piperidin-4-yl...)
Show SMILES Cc1ccc(CN2CCC(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1
Show InChI InChI=1S/C21H24Cl2N2O/c1-15-2-4-17(5-3-15)14-25-8-6-16(7-9-25)13-24-21(26)18-10-19(22)12-20(23)11-18/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,24,26)
PDB
MMDB

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Article
PubMed
n/an/a 135n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human ERG by voltage-clamp electrophysiology assay


J Med Chem 51: 3692-5 (2008)


Article DOI: 10.1021/jm800419w
BindingDB Entry DOI: 10.7270/Q25Q4VXC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50243845
PNG
(3,5-Dichloro-N-[1-(4-methyl-benzyl)-piperidin-4-yl...)
Show SMILES Cc1ccc(CN2CCC(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1
Show InChI InChI=1S/C21H24Cl2N2O/c1-15-2-4-17(5-3-15)14-25-8-6-16(7-9-25)13-24-21(26)18-10-19(22)12-20(23)11-18/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,24,26)
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PC sid
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Article
PubMed
n/an/a 135n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50243845
PNG
(3,5-Dichloro-N-[1-(4-methyl-benzyl)-piperidin-4-yl...)
Show SMILES Cc1ccc(CN2CCC(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1
Show InChI InChI=1S/C21H24Cl2N2O/c1-15-2-4-17(5-3-15)14-25-8-6-16(7-9-25)13-24-21(26)18-10-19(22)12-20(23)11-18/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,24,26)
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UniChem

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Article
PubMed
n/an/a 281n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel alpha1I (unknown origin) by FLIPR


J Med Chem 51: 6471-7 (2008)


Article DOI: 10.1021/jm800830n
BindingDB Entry DOI: 10.7270/Q2N29WT4
More data for this
Ligand-Target Pair