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BDBM50252709 CHEMBL493467::N-({1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl}methyl)-3,5-dichlorobenzamide

SMILES: CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1

InChI Key: InChIKey=JVHZYELJAMTTHN-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50252709   
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))
BDBM50252709
PNG
(CHEMBL493467 | N-({1-[2-(tert-butylamino)-2-oxoeth...)
Show SMILES CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H27Cl2N3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)
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MMDB

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Similars

Article
PubMed
n/an/a>1.00E+4n/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))
BDBM50252709
PNG
(CHEMBL493467 | N-({1-[2-(tert-butylamino)-2-oxoeth...)
Show SMILES CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H27Cl2N3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 22n/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