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PubMed code 27994728

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
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
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50201022
PNG
(CHEMBL3897632 | US10155727, Example 6 | USRE49517,...)
Show SMILES FC(F)Oc1cc(ccc1Cl)-c1cnn(Cc2cc[nH]n2)c1
Show InChI InChI=1S/C14H11ClF2N4O/c15-12-2-1-9(5-13(12)22-14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)
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n/an/a 5.20n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at Wistar rat brain NR2B assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured after 90 secs


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50201028
PNG
(CHEMBL3954438 | US10155727, Example 18 | USRE49517...)
Show SMILES FC(F)Oc1cc(ccc1F)-c1cnn(Cc2cc[nH]n2)c1
Show InChI InChI=1S/C14H11F3N4O/c15-12-2-1-9(5-13(12)22-14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)
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n/an/a 8n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at Wistar rat brain NR2B assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured after 90 secs


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50201023
PNG
(CHEMBL3927856 | US10155727, Example 7 | USRE49517,...)
Show SMILES FC(F)Oc1cc(ccc1Cl)-c1cnn(Cc2cn[nH]c2)c1
Show InChI InChI=1S/C14H11ClF2N4O/c15-12-2-1-10(3-13(12)22-14(16)17)11-6-20-21(8-11)7-9-4-18-19-5-9/h1-6,8,14H,7H2,(H,18,19)
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n/an/a 8.20n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at Wistar rat brain NR2B assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured after 90 secs


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50201025
PNG
(CHEMBL3975087 | US10155727, Example 26 | USRE49517...)
Show SMILES FC(F)c1cc(ccc1Cl)-c1cnn(Cc2cc[nH]n2)c1
Show InChI InChI=1S/C14H11ClF2N4/c15-13-2-1-9(5-12(13)14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)
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n/an/a 30n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at Wistar rat brain NR2B assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured after 90 secs


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50201026
PNG
(CHEMBL3983077 | US10155727, Example 17 | USRE49517...)
Show SMILES CCc1[nH]ncc1Cn1cc(cn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C16H15ClF2N4O/c1-2-14-12(6-20-22-14)9-23-8-11(7-21-23)10-3-4-13(17)15(5-10)24-16(18)19/h3-8,16H,2,9H2,1H3,(H,20,22)
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n/an/a 56n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at Wistar rat brain NR2B assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured after 90 secs


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50201021
PNG
(CHEMBL3966599 | US10155727, Example 2 | USRE49517,...)
Show SMILES Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n1
Show InChI InChI=1S/C15H13ClF2N4O/c1-21-5-4-12(20-21)9-22-8-11(7-19-22)10-2-3-13(16)14(6-10)23-15(17)18/h2-8,15H,9H2,1H3
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n/an/a 78n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at Wistar rat brain NR2B assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured after 90 secs


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50201024
PNG
(CHEMBL3936854 | US10155727, Example 4 | USRE49517,...)
Show SMILES Cn1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)cn1
Show InChI InChI=1S/C15H13ClF2N4O/c1-21-7-10(5-19-21)8-22-9-12(6-20-22)11-2-3-13(16)14(4-11)23-15(17)18/h2-7,9,15H,8H2,1H3
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n/an/a 119n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at Wistar rat brain NR2B assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured after 90 secs


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50201022
PNG
(CHEMBL3897632 | US10155727, Example 6 | USRE49517,...)
Show SMILES FC(F)Oc1cc(ccc1Cl)-c1cnn(Cc2cc[nH]n2)c1
Show InChI InChI=1S/C14H11ClF2N4O/c15-12-2-1-9(5-13(12)22-14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)
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n/an/a 230n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human NR2B expressed in HEK293 cells co-expressing NRI assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured ...


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50201023
PNG
(CHEMBL3927856 | US10155727, Example 7 | USRE49517,...)
Show SMILES FC(F)Oc1cc(ccc1Cl)-c1cnn(Cc2cn[nH]c2)c1
Show InChI InChI=1S/C14H11ClF2N4O/c15-12-2-1-10(3-13(12)22-14(16)17)11-6-20-21(8-11)7-9-4-18-19-5-9/h1-6,8,14H,7H2,(H,18,19)
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n/an/a 350n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human NR2B expressed in HEK293 cells co-expressing NRI assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured ...


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50201028
PNG
(CHEMBL3954438 | US10155727, Example 18 | USRE49517...)
Show SMILES FC(F)Oc1cc(ccc1F)-c1cnn(Cc2cc[nH]n2)c1
Show InChI InChI=1S/C14H11F3N4O/c15-12-2-1-9(5-13(12)22-14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)
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n/an/a 370n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human NR2B expressed in HEK293 cells co-expressing NRI assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured ...


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50201025
PNG
(CHEMBL3975087 | US10155727, Example 26 | USRE49517...)
Show SMILES FC(F)c1cc(ccc1Cl)-c1cnn(Cc2cc[nH]n2)c1
Show InChI InChI=1S/C14H11ClF2N4/c15-13-2-1-9(5-12(13)14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)
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n/an/a 890n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human NR2B expressed in HEK293 cells co-expressing NRI assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured ...


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50201027
PNG
(CHEMBL3945735 | US10155727, Example 30 | USRE49517...)
Show SMILES Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(c2)C(F)(F)F)n1
Show InChI InChI=1S/C15H12ClF3N4/c1-22-5-4-12(21-22)9-23-8-11(7-20-23)10-2-3-14(16)13(6-10)15(17,18)19/h2-8H,9H2,1H3
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n/an/a 1.01E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at Wistar rat brain NR2B assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured after 90 secs


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50201024
PNG
(CHEMBL3936854 | US10155727, Example 4 | USRE49517,...)
Show SMILES Cn1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)cn1
Show InChI InChI=1S/C15H13ClF2N4O/c1-21-7-10(5-19-21)8-22-9-12(6-20-22)11-2-3-13(16)14(4-11)23-15(17)18/h2-7,9,15H,8H2,1H3
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n/an/a 1.75E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human NR2B expressed in HEK293 cells co-expressing NRI assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured ...


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50201021
PNG
(CHEMBL3966599 | US10155727, Example 2 | USRE49517,...)
Show SMILES Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n1
Show InChI InChI=1S/C15H13ClF2N4O/c1-21-5-4-12(20-21)9-22-8-11(7-19-22)10-2-3-13(16)14(6-10)23-15(17)18/h2-8,15H,9H2,1H3
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n/an/a 2.46E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human NR2B expressed in HEK293 cells co-expressing NRI assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured ...


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201027
PNG
(CHEMBL3945735 | US10155727, Example 30 | USRE49517...)
Show SMILES Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(c2)C(F)(F)F)n1
Show InChI InChI=1S/C15H12ClF3N4/c1-22-5-4-12(21-22)9-23-8-11(7-20-23)10-2-3-14(16)13(6-10)15(17,18)19/h2-8H,9H2,1H3
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n/an/a 3.47E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by scintillation counting


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50201026
PNG
(CHEMBL3983077 | US10155727, Example 17 | USRE49517...)
Show SMILES CCc1[nH]ncc1Cn1cc(cn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C16H15ClF2N4O/c1-2-14-12(6-20-22-14)9-23-8-11(7-21-23)10-3-4-13(17)15(5-10)24-16(18)19/h3-8,16H,2,9H2,1H3,(H,20,22)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human NR2B expressed in HEK293 cells co-expressing NRI assessed as inhibition of glutamate/glycine-induced Ca2+ flux measured ...


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201025
PNG
(CHEMBL3975087 | US10155727, Example 26 | USRE49517...)
Show SMILES FC(F)c1cc(ccc1Cl)-c1cnn(Cc2cc[nH]n2)c1
Show InChI InChI=1S/C14H11ClF2N4/c15-13-2-1-9(5-12(13)14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)
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n/an/a 4.75E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by scintillation counting


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201021
PNG
(CHEMBL3966599 | US10155727, Example 2 | USRE49517,...)
Show SMILES Cn1ccc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)n1
Show InChI InChI=1S/C15H13ClF2N4O/c1-21-5-4-12(20-21)9-22-8-11(7-19-22)10-2-3-13(16)14(6-10)23-15(17)18/h2-8,15H,9H2,1H3
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n/an/a 8.08E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by scintillation counting


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201022
PNG
(CHEMBL3897632 | US10155727, Example 6 | USRE49517,...)
Show SMILES FC(F)Oc1cc(ccc1Cl)-c1cnn(Cc2cc[nH]n2)c1
Show InChI InChI=1S/C14H11ClF2N4O/c15-12-2-1-9(5-13(12)22-14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)
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n/an/a 9.56E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by scintillation counting


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201026
PNG
(CHEMBL3983077 | US10155727, Example 17 | USRE49517...)
Show SMILES CCc1[nH]ncc1Cn1cc(cn1)-c1ccc(Cl)c(OC(F)F)c1
Show InChI InChI=1S/C16H15ClF2N4O/c1-2-14-12(6-20-22-14)9-23-8-11(7-21-23)10-3-4-13(17)15(5-10)24-16(18)19/h3-8,16H,2,9H2,1H3,(H,20,22)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by scintillation counting


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201024
PNG
(CHEMBL3936854 | US10155727, Example 4 | USRE49517,...)
Show SMILES Cn1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)cn1
Show InChI InChI=1S/C15H13ClF2N4O/c1-21-7-10(5-19-21)8-22-9-12(6-20-22)11-2-3-13(16)14(4-11)23-15(17)18/h2-7,9,15H,8H2,1H3
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n/an/a 5.24E+4n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by scintillation counting


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201023
PNG
(CHEMBL3927856 | US10155727, Example 7 | USRE49517,...)
Show SMILES FC(F)Oc1cc(ccc1Cl)-c1cnn(Cc2cn[nH]c2)c1
Show InChI InChI=1S/C14H11ClF2N4O/c15-12-2-1-10(3-13(12)22-14(16)17)11-6-20-21(8-11)7-9-4-18-19-5-9/h1-6,8,14H,7H2,(H,18,19)
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n/an/a 5.26E+4n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by scintillation counting


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201028
PNG
(CHEMBL3954438 | US10155727, Example 18 | USRE49517...)
Show SMILES FC(F)Oc1cc(ccc1F)-c1cnn(Cc2cc[nH]n2)c1
Show InChI InChI=1S/C14H11F3N4O/c15-12-2-1-9(5-13(12)22-14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)
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n/an/a 1.35E+5n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by scintillation counting


ACS Med Chem Lett 7: 1018-1019 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00433
BindingDB Entry DOI: 10.7270/Q2CJ8GGN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%