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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily KQT member 2/3' and Ligand = 'BDBM50535681'   
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
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50535681
PNG
(CHEMBL4438095)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
Show InChI InChI=1S/C17H17F4N3O2/c1-2-26-16(25)24-13-8-7-12(14(18)15(13)22)23-9-10-3-5-11(6-4-10)17(19,20)21/h3-8,23H,2,9,22H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 190n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Agonist activity at human Kv7.2/Kv7.3 expressed in CHO cells at holding potential of at -85 mV by whole cell patch clamp electrophysiology assay


ACS Med Chem Lett 10: 929-935 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00097
BindingDB Entry DOI: 10.7270/Q28S4TDV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50535681
PNG
(CHEMBL4438095)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
Show InChI InChI=1S/C17H17F4N3O2/c1-2-26-16(25)24-13-8-7-12(14(18)15(13)22)23-9-10-3-5-11(6-4-10)17(19,20)21/h3-8,23H,2,9,22H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 270n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50535681
PNG
(CHEMBL4438095)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
Show InChI InChI=1S/C17H17F4N3O2/c1-2-26-16(25)24-13-8-7-12(14(18)15(13)22)23-9-10-3-5-11(6-4-10)17(19,20)21/h3-8,23H,2,9,22H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 240n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50535681
PNG
(CHEMBL4438095)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
Show InChI InChI=1S/C17H17F4N3O2/c1-2-26-16(25)24-13-8-7-12(14(18)15(13)22)23-9-10-3-5-11(6-4-10)17(19,20)21/h3-8,23H,2,9,22H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.00E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair