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BDBM50215552 3-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethynyl)benzonitrile::CHEMBL229429

SMILES: FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N

InChI Key: InChIKey=WTLBLIGPXACYET-UHFFFAOYSA-N

Data: 44 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 46 hits for monomerid = 50215552   
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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity at mGluR1


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
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
BindingDB Entry DOI: 10.7270/Q26Q1Z7T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from delta opioid receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
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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n/an/a 0.0360n/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 membrane


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]cholidine from adrenergic alpha-2B receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [125I]pindolol from adrenergic beta-1 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-125743 from 5HT1D receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT5A receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from dopamine D3 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M3 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of radiolabeled SKF-38393 from dopamine D5 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from mu opioid receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity at mGluR4


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-125743 from 5HT1B receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT2B receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]cholidine from adrenergic alpha2A receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxitine from NET


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(HUMAN M3)
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M4 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to from histamine H2 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha-1B receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT7 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M2 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from dopamine D4 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(HUMAN)
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity at mGluR6


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
GRM8


(HUMAN)
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity at mGluR8


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from kappa opioid receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]cholidine from adrenergic alpha-2C receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M5 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
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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n/an/a 0.714n/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Activity at human recombinant mGluR5 in CHO cells assessed as inhibition of quisqualate-stimulated phosphoinositide hydrolysis


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from dopamine D2 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha-1A receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to histamine H4 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to sigma1 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from 5HT1E receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity at mGluR2


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
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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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [125I]pindolol from adrenergic beta-2 receptor


J Med Chem 50: 3256-66 (2007)


Article DOI: 10.1021/jm0701268
BindingDB Entry DOI: 10.7270/Q2FB52NB
More data for this
Ligand-Target Pair