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PubMed code 21207959

Compile data set for download or QSAR
Found 69 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


(Rattus norvegicus (Rat))
BDBM50215552
PNG
(3-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethyny...)
Show SMILES FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C13H6F2N2S/c14-6-13-17-12(8-18-13)2-1-9-3-10(7-16)5-11(15)4-9/h3-5,8H,6H2
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0.0360n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50258612
PNG
(3-Fluoro-5-cyano-1-(2-methylthiazol-4-ylethynyl)be...)
Show SMILES Cc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C13H7FN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3
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0.0800n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336827
PNG
(3-[(2-Aminothiazol)-4-ethynyl]-5-fluorobenzonitril...)
Show SMILES Nc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H6FN3S/c13-10-4-8(3-9(5-10)6-14)1-2-11-7-17-12(15)16-11/h3-5,7H,(H2,15,16)
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0.25n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336830
PNG
(3-((2-Chlorothiazol)-4-yl)ethynyl)benzonitrile | C...)
Show SMILES Clc1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C12H5ClN2S/c13-12-15-11(8-16-12)5-4-9-2-1-3-10(6-9)7-14/h1-3,6,8H
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0.270n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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0.280n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336831
PNG
(3-((2-Chlorothiazol)-4-yl)ethynyl)-5-fluorobenzoni...)
Show SMILES Fc1cc(cc(c1)C#Cc1csc(Cl)n1)C#N
Show InChI InChI=1S/C12H4ClFN2S/c13-12-16-11(7-17-12)2-1-8-3-9(6-15)5-10(14)4-8/h3-5,7H
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0.400n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336826
PNG
(3-[(2-Aminothiazol)-4-ethynyl]benzonitrile | CHEMB...)
Show SMILES Nc1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C12H7N3S/c13-7-10-3-1-2-9(6-10)4-5-11-8-16-12(14)15-11/h1-3,6,8H,(H2,14,15)
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0.900n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336835
PNG
(3-((2-Bromothiazol)-4-ethynyl)-5-fluorobenzonitril...)
Show SMILES Fc1cc(cc(c1)C#Cc1csc(Br)n1)C#N
Show InChI InChI=1S/C12H4BrFN2S/c13-12-16-11(7-17-12)2-1-8-3-9(6-15)5-10(14)4-8/h3-5,7H
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0.950n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336839
PNG
(3-((2-Iodothiazol)-4-ethynyl)-5-fluorobenzonitrile...)
Show SMILES Fc1cc(cc(c1)C#Cc1csc(I)n1)C#N
Show InChI InChI=1S/C12H4FIN2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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1.30n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336842
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)benzonitrile | CH...)
Show SMILES Fc1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C12H5FN2S/c13-12-15-11(8-16-12)5-4-9-2-1-3-10(6-9)7-14/h1-3,6,8H
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1.60n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336832
PNG
(2-(3-((2-Chlorothiazol)-4-yl)ethynyl)-phenyl)aceto...)
Show SMILES Clc1nc(cs1)C#Cc1cccc(CC#N)c1
Show InChI InChI=1S/C13H7ClN2S/c14-13-16-12(9-17-13)5-4-10-2-1-3-11(8-10)6-7-15/h1-3,8-9H,6H2
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3.10n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336836
PNG
(2-(3-((2-Bromothiazol-4-yl)ethynyl)phenyl)acetonit...)
Show SMILES Brc1nc(cs1)C#Cc1cccc(CC#N)c1
Show InChI InChI=1S/C13H7BrN2S/c14-13-16-12(9-17-13)5-4-10-2-1-3-11(8-10)6-7-15/h1-3,8-9H,6H2
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3.30n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336834
PNG
(3-((2-bromothiazol-4-yl)ethynyl)benzonitrile | CHE...)
Show SMILES Brc1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C12H5BrN2S/c13-12-15-11(8-16-12)5-4-9-2-1-3-10(6-9)7-14/h1-3,6,8H
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3.70n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336844
PNG
(2-(3-((2-Fluorothiazol-4-yl)ethynyl)phenyl)acetoni...)
Show SMILES Fc1nc(cs1)C#Cc1cccc(CC#N)c1
Show InChI InChI=1S/C13H7FN2S/c14-13-16-12(9-17-13)5-4-10-2-1-3-11(8-10)6-7-15/h1-3,8-9H,6H2
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3.90n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336838
PNG
(3-[(2-Iodothiazol)-4-ethynyl]-benzonitrile | CHEMB...)
Show SMILES Ic1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C12H5IN2S/c13-12-15-11(8-16-12)5-4-9-2-1-3-10(6-9)7-14/h1-3,6,8H
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4.20n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336828
PNG
(2-(3-((2-Aminothiazol-4-yl)ethynyl)acetonitrile | ...)
Show SMILES Nc1nc(cs1)C#Cc1cccc(CC#N)c1
Show InChI InChI=1S/C13H9N3S/c14-7-6-11-3-1-2-10(8-11)4-5-12-9-17-13(15)16-12/h1-3,8-9H,6H2,(H2,15,16)
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5.90n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336833
PNG
(2-Chloro-4-((3-methoxyphenyl)ethynyl)thiazole | CH...)
Show SMILES COc1cccc(c1)C#Cc1csc(Cl)n1
Show InChI InChI=1S/C12H8ClNOS/c1-15-11-4-2-3-9(7-11)5-6-10-8-16-12(13)14-10/h2-4,7-8H,1H3
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8.10n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336829
PNG
(4-(3-Methoxyphenyl)ethynyl(thiazol)-2-amine | CHEM...)
Show SMILES COc1cccc(c1)C#Cc1csc(N)n1
Show InChI InChI=1S/C12H10N2OS/c1-15-11-4-2-3-9(7-11)5-6-10-8-16-12(13)14-10/h2-4,7-8H,1H3,(H2,13,14)
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19n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336837
PNG
(2-Bromo-4-((3-methoxyphenyl)ethynyl)thiazole | CHE...)
Show SMILES COc1cccc(c1)C#Cc1csc(Br)n1
Show InChI InChI=1S/C12H8BrNOS/c1-15-11-4-2-3-9(7-11)5-6-10-8-16-12(13)14-10/h2-4,7-8H,1H3
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22n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336840
PNG
(2-(3-((2-Iodothiazol-4-yl)ethynyl)phenyl)acetonitr...)
Show SMILES Ic1nc(cs1)C#Cc1cccc(CC#N)c1
Show InChI InChI=1S/C13H7IN2S/c14-13-16-12(9-17-13)5-4-10-2-1-3-11(8-10)6-7-15/h1-3,8-9H,6H2
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23n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336845
PNG
(2-Fluoro-4-((3-methoxyphenyl)ethynyl)thiazole | CH...)
Show SMILES COc1cccc(c1)C#Cc1csc(F)n1
Show InChI InChI=1S/C12H8FNOS/c1-15-11-4-2-3-9(7-11)5-6-10-8-16-12(13)14-10/h2-4,7-8H,1H3
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23n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336846
PNG
(2-fluoro-4-(phenylethynyl)thiazole | CHEMBL1672290)
Show SMILES Fc1nc(cs1)C#Cc1ccccc1
Show InChI InChI=1S/C11H6FNS/c12-11-13-10(8-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H
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122n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336841
PNG
(2-Iodo-4-((3-methoxyphenyl)ethynyl)thiazole | CHEM...)
Show SMILES COc1cccc(c1)C#Cc1csc(I)n1
Show InChI InChI=1S/C12H8INOS/c1-15-11-4-2-3-9(7-11)5-6-10-8-16-12(13)14-10/h2-4,7-8H,1H3
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133n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to 5HT7 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic Alpha-2C receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta3 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to DAT


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M4 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M5 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to mGluR6 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to DOR


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha2B receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1D receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1E receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M2 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic Alpha-1B receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha2A receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta1 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to MOR


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to KOR


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to mGluR2 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2C receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to 5HT5A receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic Alpha-1D receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to histamine H2 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to histamine H4 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to NET


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to SERT receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1B receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
PDB
MMDB

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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta2 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D5 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to mGluR4 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
GRM8


(Homo sapiens (Human))
BDBM50336843
PNG
(3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonit...)
Show SMILES Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C12H4F2N2S/c13-10-4-8(3-9(5-10)6-15)1-2-11-7-17-12(14)16-11/h3-5,7H
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to mGluR8 receptor


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%