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PubMed code 25127154

Compile data set for download or QSAR
Found 24 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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50345949
PNG
(3-(4-Methoxy-phenyl)-9-prop-2-ynylamino-3H-pyrido[...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
Show InChI InChI=1S/C19H14N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h1,4-8,10-11H,9H2,2H3,(H,20,21)
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n/an/a 6.70n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058042
PNG
(CHEMBL3330823)
Show SMILES COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1C
Show InChI InChI=1S/C20H16N2O2S/c1-13-5-3-4-6-16(13)17-11-25-19-18(17)21-12-22(20(19)23)14-7-9-15(24-2)10-8-14/h3-12H,1-2H3
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n/an/a 45n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058048
PNG
(CHEMBL3330811)
Show SMILES COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C19H14N2O2S/c1-23-15-9-7-14(8-10-15)21-12-20-17-16(11-24-18(17)19(21)22)13-5-3-2-4-6-13/h2-12H,1H3
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n/an/a 50n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058044
PNG
(CHEMBL3330817)
Show SMILES COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1F
Show InChI InChI=1S/C19H13FN2O2S/c1-24-13-8-6-12(7-9-13)22-11-21-17-15(10-25-18(17)19(22)23)14-4-2-3-5-16(14)20/h2-11H,1H3
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n/an/a 57n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058056
PNG
(CHEMBL3330801)
Show SMILES Fc1cccc(c1)-n1cnc2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C18H11FN2OS/c19-13-7-4-8-14(9-13)21-11-20-16-15(10-23-17(16)18(21)22)12-5-2-1-3-6-12/h1-11H
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n/an/a 58n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058055
PNG
(CHEMBL3330802)
Show SMILES Fc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C18H11FN2OS/c19-13-6-8-14(9-7-13)21-11-20-16-15(10-23-17(16)18(21)22)12-4-2-1-3-5-12/h1-11H
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n/an/a 66n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058047
PNG
(CHEMBL3330812 | US9260448, 29)
Show SMILES C=Cc1cccc(c1)-n1cnc2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C20H14N2OS/c1-2-14-7-6-10-16(11-14)22-13-21-18-17(12-24-19(18)20(22)23)15-8-4-3-5-9-15/h2-13H,1H2
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n/an/a 74n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058049
PNG
(CHEMBL3330808 | US9260448, 18)
Show SMILES Cc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C19H14N2OS/c1-13-7-9-15(10-8-13)21-12-20-17-16(11-23-18(17)19(21)22)14-5-3-2-4-6-14/h2-12H,1H3
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n/an/a 112n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058045
PNG
(CHEMBL3330813)
Show SMILES C=Cc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C20H14N2OS/c1-2-14-8-10-16(11-9-14)22-13-21-18-17(12-24-19(18)20(22)23)15-6-4-3-5-7-15/h2-13H,1H2
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n/an/a 128n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058059
PNG
(CHEMBL3330800)
Show SMILES O=c1n(cnc2c(csc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H12N2OS/c21-18-17-16(15(11-22-17)13-7-3-1-4-8-13)19-12-20(18)14-9-5-2-6-10-14/h1-12H
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n/an/a 136n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058052
PNG
(CHEMBL3330805 | US9260448, 7)
Show SMILES Clc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C18H11ClN2OS/c19-13-6-8-14(9-7-13)21-11-20-16-15(10-23-17(16)18(21)22)12-4-2-1-3-5-12/h1-11H
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n/an/a 162n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058050
PNG
(CHEMBL3330807)
Show SMILES Cc1cccc(c1)-n1cnc2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C19H14N2OS/c1-13-6-5-9-15(10-13)21-12-20-17-16(11-23-18(17)19(21)22)14-7-3-2-4-8-14/h2-12H,1H3
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n/an/a 184n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058043
PNG
(CHEMBL3330820)
Show SMILES COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C19H13ClN2O2S/c1-24-13-8-6-12(7-9-13)22-11-21-17-15(10-25-18(17)19(22)23)14-4-2-3-5-16(14)20/h2-11H,1H3
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Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058041
PNG
(CHEMBL3330824)
Show SMILES COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1cccc(C)c1
Show InChI InChI=1S/C20H16N2O2S/c1-13-4-3-5-14(10-13)17-11-25-19-18(17)21-12-22(20(19)23)15-6-8-16(24-2)9-7-15/h3-12H,1-2H3
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Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058039
PNG
(CHEMBL3330827)
Show SMILES COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C20H16N2O3S/c1-24-15-8-6-14(7-9-15)22-12-21-18-17(11-26-19(18)20(22)23)13-4-3-5-16(10-13)25-2/h3-12H,1-2H3
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n/an/a 257n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058053
PNG
(CHEMBL3330804 | US9260448, 6)
Show SMILES Clc1cccc(c1)-n1cnc2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C18H11ClN2OS/c19-13-7-4-8-14(9-13)21-11-20-16-15(10-23-17(16)18(21)22)12-5-2-1-3-6-12/h1-11H
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n/an/a 374n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058054
PNG
(CHEMBL3330803)
Show SMILES Clc1ccccc1-n1cnc2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C18H11ClN2OS/c19-14-8-4-5-9-15(14)21-11-20-16-13(10-23-17(16)18(21)22)12-6-2-1-3-7-12/h1-11H
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n/an/a 407n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058051
PNG
(CHEMBL3330806)
Show SMILES Cc1ccccc1-n1cnc2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C19H14N2OS/c1-13-7-5-6-10-16(13)21-12-20-17-15(11-23-18(17)19(21)22)14-8-3-2-4-9-14/h2-12H,1H3
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Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058057
PNG
(CHEMBL3329236 | US9260448, 2)
Show SMILES Fc1ccccc1-n1cnc2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C18H11FN2OS/c19-14-8-4-5-9-15(14)21-11-20-16-13(10-23-17(16)18(21)22)12-6-2-1-3-7-12/h1-11H
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n/an/a 677n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50058040
PNG
(CHEMBL3330826)
Show SMILES COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1OC
Show InChI InChI=1S/C20H16N2O3S/c1-24-14-9-7-13(8-10-14)22-12-21-18-16(11-26-19(18)20(22)23)15-5-3-4-6-17(15)25-2/h3-12H,1-2H3
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n/an/a 747n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1 (unknown origin) expressed in Chem-3 cells assessed as inhibition of glutamate-induced increased intracellular calcium ...


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50058042
PNG
(CHEMBL3330823)
Show SMILES COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1C
Show InChI InChI=1S/C20H16N2O2S/c1-13-5-3-4-6-16(13)17-11-25-19-18(17)21-12-22(20(19)23)14-7-9-15(24-2)10-8-14/h3-12H,1-2H3
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n/an/a 9.87E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO-K1 cells by whole cell patch-clamp assay


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50058048
PNG
(CHEMBL3330811)
Show SMILES COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C19H14N2O2S/c1-23-15-9-7-14(8-10-15)21-12-20-17-16(11-24-18(17)19(21)22)13-5-3-2-4-6-13/h2-12H,1H3
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n/an/a 1.08E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO-K1 cells by whole cell patch-clamp assay


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50345949
PNG
(3-(4-Methoxy-phenyl)-9-prop-2-ynylamino-3H-pyrido[...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
Show InChI InChI=1S/C19H14N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h1,4-8,10-11H,9H2,2H3,(H,20,21)
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n/an/a 3.10E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO-K1 cells by whole cell patch-clamp assay


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50058044
PNG
(CHEMBL3330817)
Show SMILES COc1ccc(cc1)-n1cnc2c(csc2c1=O)-c1ccccc1F
Show InChI InChI=1S/C19H13FN2O2S/c1-24-13-8-6-12(7-9-13)22-11-21-17-15(10-25-18(17)19(22)23)14-4-2-3-5-16(14)20/h2-11H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO-K1 cells by whole cell patch-clamp assay


Eur J Med Chem 85: 629-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.027
BindingDB Entry DOI: 10.7270/Q2B56MDJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%