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Compile Data Set for Download or QSAR

Found 503 hits with Last Name = 'bobok' and Initial = 'a'   
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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50610205
PNG
(CHEMBL5268764)
Show SMILES CCOC(=O)c1ncn2c1c(=O)n(Cc1cccnc1)c1ccccc21
PDB

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0.300n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50610205
PNG
(CHEMBL5268764)
Show SMILES CCOC(=O)c1ncn2c1c(=O)n(Cc1cccnc1)c1ccccc21
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0.400n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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0.400n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605870
PNG
(CHEMBL5196475)
Show SMILES Cc1onc(c1COc1cc2CCNC(=O)c2cn1)-c1ccc(F)cc1
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0.490n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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0.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066519
PNG
(CHEMBL3403102)
Show SMILES Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccccc1F)C#N |(8.48,2.75,;7.25,2.74,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.95,1.38,;6.49,1.4,;4.2,.04,;4.82,-1.02,;5.43,.05,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;4.14,5.37,;3.51,6.43,)|
Show InChI InChI=1S/C20H10F2N2O2S2/c21-13-8-12(11-23)9-14(10-13)28(25,26)20-18(15-4-1-2-6-17(15)22)16-5-3-7-24-19(16)27-20/h1-10H
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1.10n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066730
PNG
(CHEMBL3403126)
Show SMILES Nc1cnc2sc(c(-c3ccccc3F)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)|
Show InChI InChI=1S/C20H11F2N3O2S2/c21-12-5-11(9-23)6-14(7-12)29(26,27)20-18(15-3-1-2-4-17(15)22)16-8-13(24)10-25-19(16)28-20/h1-8,10H,24H2
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1.5n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50610197
PNG
(CHEMBL5283158)
Show SMILES Cc1ncc(Cn2c3ccccc3n3cncc3c2=O)cn1
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1.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066735
PNG
(CHEMBL3403121)
Show SMILES Nc1cnc2sc(c(-c3ccccc3F)c2c1)S(=O)(=O)c1cccc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.25,2.74,;6.49,1.4,;8.79,2.75,;10.02,2.77,)|
Show InChI InChI=1S/C20H12FN3O2S2/c21-17-7-2-1-6-15(17)18-16-9-13(23)11-24-19(16)27-20(18)28(25,26)14-5-3-4-12(8-14)10-22/h1-9,11H,23H2
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1.80n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605882
PNG
(CHEMBL5202280)
Show SMILES CC(=O)N1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1
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1.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066731
PNG
(CHEMBL3403125)
Show SMILES Nc1cnc2sc(c(-c3cccc(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C20H11F2N3O2S2/c21-13-3-1-2-12(6-13)18-17-8-15(24)10-25-19(17)28-20(18)29(26,27)16-5-11(9-23)4-14(22)7-16/h1-8,10H,24H2
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1.90n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50610218
PNG
(CHEMBL5279431)
Show SMILES CCOC(=O)c1ncn2c1c(=O)n(Cc1cccnc1)c1cccc(Cl)c21
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2n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066366
PNG
(CHEMBL3401592)
Show SMILES Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C20H10ClFN2O2S2/c21-14-5-3-13(4-6-14)18-17-2-1-7-24-19(17)27-20(18)28(25,26)16-9-12(11-23)8-15(22)10-16/h1-10H
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2n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066520
PNG
(CHEMBL3403101)
Show SMILES Fc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C20H10F2N2O2S2/c21-14-4-1-3-13(9-14)18-17-5-2-6-24-19(17)27-20(18)28(25,26)16-8-12(11-23)7-15(22)10-16/h1-10H
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2.20n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066734
PNG
(CHEMBL3403122)
Show SMILES Nc1cnc2sc(c(-c3ccc(Cl)cc3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C20H11ClFN3O2S2/c21-13-3-1-12(2-4-13)18-17-8-15(24)10-25-19(17)28-20(18)29(26,27)16-6-11(9-23)5-14(22)7-16/h1-8,10H,24H2
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2.20n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50001922
PNG
(2-Naphthalen-1-ylmethyl-4,5-dihydro-1H-imidazole; ...)
Show SMILES C(C1=NCCN1)c1cccc2ccccc12 |t:1|
Show InChI InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
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2.30n/an/an/an/an/an/an/an/a



Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary.

Curated by ChEMBL


Assay Description
Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor expressed in CHOK1 cell membranes after 30 mins by scintillation coun...


Bioorg Med Chem 23: 3991-9 (2015)


Article DOI: 10.1016/j.bmc.2015.01.013
BindingDB Entry DOI: 10.7270/Q2GM892T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066728
PNG
(CHEMBL3403128)
Show SMILES Nc1cnc2sc(c(-c3cc(F)cc(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C20H10F3N3O2S2/c21-12-1-10(8-24)2-16(6-12)30(27,28)20-18(11-3-13(22)5-14(23)4-11)17-7-15(25)9-26-19(17)29-20/h1-7,9H,25H2
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2.40n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066521
PNG
(CHEMBL3403100)
Show SMILES Fc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C20H10F2N2O2S2/c21-14-5-3-13(4-6-14)18-17-2-1-7-24-19(17)27-20(18)28(25,26)16-9-12(11-23)8-15(22)10-16/h1-10H
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2.40n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066671
PNG
(CHEMBL3403146)
Show SMILES Fc1cccc(c1)-c1c(sc2nc(F)ccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C20H9F3N2O2S2/c21-13-3-1-2-12(8-13)18-16-4-5-17(23)25-19(16)28-20(18)29(26,27)15-7-11(10-24)6-14(22)9-15/h1-9H
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2.5n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066729
PNG
(CHEMBL3403127)
Show SMILES Nc1cnc2sc(c(-c3ccc(F)c(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C20H10F3N3O2S2/c21-12-3-10(8-24)4-14(6-12)30(27,28)20-18(11-1-2-16(22)17(23)5-11)15-7-13(25)9-26-19(15)29-20/h1-7,9H,25H2
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2.70n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605891
PNG
(CHEMBL5174560)
Show SMILES CN(C)C(=O)N1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1
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2.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066732
PNG
(CHEMBL3403124)
Show SMILES Nc1cnc2sc(c(-c3ccc(F)cc3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C20H11F2N3O2S2/c21-13-3-1-12(2-4-13)18-17-8-15(24)10-25-19(17)28-20(18)29(26,27)16-6-11(9-23)5-14(22)7-16/h1-8,10H,24H2
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2.80n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605874
PNG
(CHEMBL5207799)
Show SMILES CN1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1=O
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066713
PNG
(CHEMBL3403145)
Show SMILES Fc1ccc(cc1)-c1c(sc2nc(F)ccc12)S(=O)(=O)c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C20H9F3N2O2S2/c21-13-3-1-12(2-4-13)18-16-5-6-17(23)25-19(16)28-20(18)29(26,27)15-8-11(10-24)7-14(22)9-15/h1-9H
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2.80n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066751
PNG
(CHEMBL3403094)
Show SMILES Cc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C21H14N2O2S2/c1-14-7-9-16(10-8-14)19-18-6-3-11-23-20(18)26-21(19)27(24,25)17-5-2-4-15(12-17)13-22/h2-12H,1H3
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3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605904
PNG
(CHEMBL5179688)
Show SMILES CC(=O)N1Cc2ccc(OCc3c(C)nnn3-c3ccc(F)cc3)nc2C1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066362
PNG
(CHEMBL3401594)
Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClNO2S2/c1-13-5-10-17(12-14(13)2)27(24,25)21-19(15-6-8-16(22)9-7-15)18-4-3-11-23-20(18)26-21/h3-12H,1-2H3
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3.30n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323373
PNG
(1,2-dicyclohexyl-3-(pyridin-3-yl)propan-1-one O-3-...)
Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cc2cccnc2)C2CCCCC2)C2CCCCC2)c1
Show InChI InChI=1S/C27H34ClN3O2/c28-23-14-7-15-24(18-23)30-27(32)33-31-26(22-12-5-2-6-13-22)25(21-10-3-1-4-11-21)17-20-9-8-16-29-19-20/h7-9,14-16,18-19,21-22,25H,1-6,10-13,17H2,(H,30,32)/b31-26+
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3.40n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat mGLUR5


Bioorg Med Chem Lett 20: 4371-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.075
BindingDB Entry DOI: 10.7270/Q2G1611F
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066754
PNG
(CHEMBL3403091)
Show SMILES Clc1ccccc1-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N |(4.61,-2.27,;3.72,-3.12,;4.09,-4.62,;2.98,-5.69,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.25,2.74,;6.49,1.4,;8.79,2.75,;10.02,2.77,)|
Show InChI InChI=1S/C20H11ClN2O2S2/c21-17-9-2-1-7-15(17)18-16-8-4-10-23-19(16)26-20(18)27(24,25)14-6-3-5-13(11-14)12-22/h1-11H
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3.5n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50610197
PNG
(CHEMBL5283158)
Show SMILES Cc1ncc(Cn2c3ccccc3n3cncc3c2=O)cn1
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Citation and Details
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605888
PNG
(CHEMBL5179759)
Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CCS(=O)(=O)CC1)-c1ccc(F)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066498
PNG
(CHEMBL3401580)
Show SMILES Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C20H11ClN2O2S2/c21-15-8-6-14(7-9-15)18-17-5-2-10-23-19(17)26-20(18)27(24,25)16-4-1-3-13(11-16)12-22/h1-11H
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4.10n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605869
PNG
(CHEMBL5185502)
Show SMILES Cc1onc(c1COc1ccc2C(=O)NCCc2n1)-c1ccc(F)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605868
PNG
(CHEMBL5186978)
Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)CS(C)(=O)=O)-c1ccc(F)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066736
PNG
(CHEMBL3403120)
Show SMILES Nc1cnc2sc(c(-c3cccc(F)c3)c2c1)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C20H12FN3O2S2/c21-14-5-2-4-13(8-14)18-17-9-15(23)11-24-19(17)27-20(18)28(25,26)16-6-1-3-12(7-16)10-22/h1-9,11H,23H2
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4.20n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM133427
PNG
(US8846719, 112)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3
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4.40n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM133427
PNG
(US8846719, 112)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3
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Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066753
PNG
(CHEMBL3403092)
Show SMILES Fc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C20H11FN2O2S2/c21-15-8-6-14(7-9-15)18-17-5-2-10-23-19(17)26-20(18)27(24,25)16-4-1-3-13(11-16)12-22/h1-11H
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4.5n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605894
PNG
(CHEMBL5176630)
Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)N1CCOCC1)-c1ccc(F)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605890
PNG
(CHEMBL5200451)
Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)c1ccno1)-c1ccc(F)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50066752
PNG
(CHEMBL3403093)
Show SMILES Fc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C20H11FN2O2S2/c21-15-6-2-5-14(11-15)18-17-8-3-9-23-19(17)26-20(18)27(24,25)16-7-1-4-13(10-16)12-22/h1-11H
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4.80n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor


Bioorg Med Chem Lett 25: 1724-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50139455
PNG
(CHEMBL3765114)
Show SMILES Fc1ccc2c(-c3ccc(Cl)cc3)c(cnc2c1)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C22H12ClFN2O2S/c23-16-6-4-15(5-7-16)22-19-9-8-17(24)11-20(19)26-13-21(22)29(27,28)18-3-1-2-14(10-18)12-25/h1-11,13H
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4.90n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]R21412 from recombinant human mGluR5a expressed in human A18 cell membrane homogenate


J Med Chem 60: 2470-2484 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01858
BindingDB Entry DOI: 10.7270/Q2RV0R05
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50236748
PNG
(CHEMBL4081358)
Show SMILES Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H11ClF3NO2S/c22-17-10-15(6-8-18(17)25)29(27,28)20-11-26-19-9-14(24)5-7-16(19)21(20)12-1-3-13(23)4-2-12/h1-11H
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5.20n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebrocortical membranes after 60 mins


J Med Chem 60: 2470-2484 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01858
BindingDB Entry DOI: 10.7270/Q2RV0R05
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50139454
PNG
(CHEMBL3764419)
Show SMILES Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C21H11ClF3NO2S/c22-17-8-6-15(10-18(17)25)29(27,28)20-11-26-19-9-14(24)5-7-16(19)21(20)12-1-3-13(23)4-2-12/h1-11H
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5.20n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGlu5 receptor expressed in rat cerebrocortical membrane measured after 1 hr


Bioorg Med Chem Lett 26: 1249-52 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.024
BindingDB Entry DOI: 10.7270/Q2930W1N
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50139455
PNG
(CHEMBL3765114)
Show SMILES Fc1ccc2c(-c3ccc(Cl)cc3)c(cnc2c1)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C22H12ClFN2O2S/c23-16-6-4-15(5-7-16)22-19-9-8-17(24)11-20(19)26-13-21(22)29(27,28)18-3-1-2-14(10-18)12-25/h1-11,13H
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5.30n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]R21412 from from in Sprague-Dawley rat cerebrocortical membranes


J Med Chem 60: 2470-2484 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01858
BindingDB Entry DOI: 10.7270/Q2RV0R05
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50139455
PNG
(CHEMBL3765114)
Show SMILES Fc1ccc2c(-c3ccc(Cl)cc3)c(cnc2c1)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C22H12ClFN2O2S/c23-16-6-4-15(5-7-16)22-19-9-8-17(24)11-20(19)26-13-21(22)29(27,28)18-3-1-2-14(10-18)12-25/h1-11,13H
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5.30n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGlu5 receptor expressed in rat cerebrocortical membrane measured after 1 hr


Bioorg Med Chem Lett 26: 1249-52 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.024
BindingDB Entry DOI: 10.7270/Q2930W1N
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50610203
PNG
(CHEMBL5267248)
Show SMILES Clc1ncn2c1c(=O)n(Cc1ccccn1)c1ccccc21
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5.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50236745
PNG
(CHEMBL4097994)
Show SMILES Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C22H12F2N2O2S/c23-16-6-4-15(5-7-16)22-19-9-8-17(24)11-20(19)26-13-21(22)29(27,28)18-3-1-2-14(10-18)12-25/h1-11,13H
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6.5n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebrocortical membranes after 60 mins


J Med Chem 60: 2470-2484 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01858
BindingDB Entry DOI: 10.7270/Q2RV0R05
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM86716
PNG
(CAS_63540-28-3 | CHEMBL239800 | Fenobam | NSC_2162...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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6.70n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Antagonist activity at human mGLUR1


Bioorg Med Chem Lett 20: 4371-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.075
BindingDB Entry DOI: 10.7270/Q2G1611F
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM86716
PNG
(CAS_63540-28-3 | CHEMBL239800 | Fenobam | NSC_2162...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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6.76n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR5


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
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