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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'fujinaga' and Initial = 'm'   
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
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50312840
PNG
(CHEMBL1076680 | US9139546, 16 | [11C](3',5'-dichlo...)
Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1cccs1
Show InChI InChI=1S/C19H16Cl2O3S/c1-23-15-8-12(19(22)17-4-3-5-25-17)9-16(24-2)18(15)11-6-13(20)10-14(21)7-11/h3-10,19,22H,1-2H3
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0.270n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to rat brain CB2 receptor


Bioorg Med Chem Lett 20: 1565-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163592
PNG
((3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-(4-met...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3OCCCc3cc2c1 |wU:5.8,2.1,(-8.6,-.89,;-7.27,-1.66,;-5.94,-.89,;-5.94,.65,;-4.61,1.42,;-3.28,.65,;-3.28,-.89,;-4.61,-1.66,;-1.95,1.42,;-1.98,2.96,;-.62,.67,;-.62,-.87,;.72,-1.64,;2.05,-.85,;3.39,-1.62,;4.72,-.82,;6.07,-1.57,;7.4,-.8,;7.38,.76,;6.03,1.51,;4.7,.72,;3.36,1.49,;2.04,.69,;.71,1.44,)|
Show InChI InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3/t13-,17+
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0.340n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1


Bioorg Med Chem 19: 102-10 (2011)


Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301822
PNG
(5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CCCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1 by PET analysis


Bioorg Med Chem Lett 21: 2998-3001 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.046
BindingDB Entry DOI: 10.7270/Q2WH2Q9B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301822
PNG
(5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CCCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1


Bioorg Med Chem 19: 102-10 (2011)


Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50266889
PNG
(CHEMBL513922 | N-benzyl-N-ethyl-2-(7-methyl-8-oxo-...)
Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting


J Med Chem 54: 6040-9 (2011)


Article DOI: 10.1021/jm200516a
BindingDB Entry DOI: 10.7270/Q2C53N16
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50054139
PNG
((R)1-(2-Chloro-phenyl)-isoquinoline-3-carboxylic a...)
Show SMILES CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting


J Med Chem 54: 6040-9 (2011)


Article DOI: 10.1021/jm200516a
BindingDB Entry DOI: 10.7270/Q2C53N16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50333368
PNG
(CHEMBL1645348 | [11C]-cis-(3-ethyl-2-methylquinoli...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |r,wU:15.16,18.23,(4.3,-15,;2.96,-14.24,;1.63,-15.01,;.3,-14.25,;-1.03,-15.02,;-2.36,-14.25,;-3.69,-15.02,;-3.7,-16.56,;-2.37,-17.33,;-1.03,-16.56,;.3,-17.33,;1.64,-16.56,;2.97,-17.33,;-5.02,-14.25,;-5.02,-12.71,;-6.36,-15.01,;-7.69,-14.23,;-9.01,-15.01,;-9.01,-16.55,;-7.69,-17.31,;-6.36,-16.55,;-10.35,-17.32,;-11.68,-16.55,)|
Show InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+
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0.870n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1


Bioorg Med Chem 19: 102-10 (2011)


Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50333368
PNG
(CHEMBL1645348 | [11C]-cis-(3-ethyl-2-methylquinoli...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |r,wU:15.16,18.23,(4.3,-15,;2.96,-14.24,;1.63,-15.01,;.3,-14.25,;-1.03,-15.02,;-2.36,-14.25,;-3.69,-15.02,;-3.7,-16.56,;-2.37,-17.33,;-1.03,-16.56,;.3,-17.33,;1.64,-16.56,;2.97,-17.33,;-5.02,-14.25,;-5.02,-12.71,;-6.36,-15.01,;-7.69,-14.23,;-9.01,-15.01,;-9.01,-16.55,;-7.69,-17.31,;-6.36,-16.55,;-10.35,-17.32,;-11.68,-16.55,)|
Show InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+
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0.870n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1 by PET analysis


Bioorg Med Chem Lett 21: 2998-3001 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.046
BindingDB Entry DOI: 10.7270/Q2WH2Q9B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50273942
PNG
(4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10|
Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3
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2n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1 by PET analysis


Bioorg Med Chem Lett 21: 2998-3001 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.046
BindingDB Entry DOI: 10.7270/Q2WH2Q9B
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50312841
PNG
(CHEMBL1081609 | US9139546, 30 | [11C](3',5'-dichlo...)
Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1
Show InChI InChI=1S/C18H12Cl2O3S/c1-23-15-8-11(18(22)16-3-2-4-24-16)7-14(21)17(15)10-5-12(19)9-13(20)6-10/h2-9,21H,1H3
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2.30n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to rat brain CB2 receptor


Bioorg Med Chem Lett 20: 1565-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50273942
PNG
(4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10|
Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3
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3.90n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1


Bioorg Med Chem 19: 102-10 (2011)


Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50312838
PNG
(CHEMBL1081623 | SCH-225336 | [11C]N-(1-(4-(4-metho...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)C(C)NS(C)(=O)=O
Show InChI InChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3
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4.5n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1565-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50333371
PNG
(CHEMBL1645351 | CHEMBL1771388 | [11C]-6-N-cyclohex...)
Show SMILES COCCN(C)Cc1ccc2nc3sc(cn3c2c1)C(=O)N(C)C1CCCCC1
Show InChI InChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-18-19(13-16)26-15-20(29-22(26)23-18)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3
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4.80n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1


Bioorg Med Chem 19: 102-10 (2011)


Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50333371
PNG
(CHEMBL1645351 | CHEMBL1771388 | [11C]-6-N-cyclohex...)
Show SMILES COCCN(C)Cc1ccc2nc3sc(cn3c2c1)C(=O)N(C)C1CCCCC1
Show InChI InChI=1S/C22H30N4O2S/c1-24(11-12-28-3)14-16-9-10-18-19(13-16)26-15-20(29-22(26)23-18)21(27)25(2)17-7-5-4-6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3
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4.80n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mGluR1 by PET analysis


Bioorg Med Chem Lett 21: 2998-3001 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.046
BindingDB Entry DOI: 10.7270/Q2WH2Q9B
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50401000
PNG
(CHEMBL2206282)
Show SMILES CCN(Cc1ccncc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C22H22N6O2/c1-3-27(14-16-9-11-23-12-10-16)19(29)15-28-21-18(26(2)22(28)30)13-24-20(25-21)17-7-5-4-6-8-17/h4-13H,3,14-15H2,1-2H3
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5.10n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting


J Med Chem 54: 6040-9 (2011)


Article DOI: 10.1021/jm200516a
BindingDB Entry DOI: 10.7270/Q2C53N16
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50301520
PNG
(4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)th...)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)
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5.40n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of 4-[18F]fluoro-N-[4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl]-N-methylbenzamide from mGluR1 in Sprague-Dawley rat brain hom...


J Med Chem 55: 2342-52 (2012)


Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50312837
PNG
(CHEMBL1081610 | [11C]8-butoxy-N-cyclohexyl-7-metho...)
Show SMILES CCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12
Show InChI InChI=1S/C21H28N2O4/c1-3-4-12-27-19-17(26-2)11-10-14-13-16(21(25)23-18(14)19)20(24)22-15-8-6-5-7-9-15/h10-11,13,15H,3-9,12H2,1-2H3,(H,22,24)(H,23,25)
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9.60n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1565-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50388957
PNG
(CHEMBL2063722)
Show SMILES COc1ccc(cc1)C(=O)N(C)c1nc(cs1)-c1cc(NC(C)C)ncn1
Show InChI InChI=1S/C19H21N5O2S/c1-12(2)22-17-9-15(20-11-21-17)16-10-27-19(23-16)24(3)18(25)13-5-7-14(26-4)8-6-13/h5-12H,1-4H3,(H,20,21,22)
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12.6n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of 4-[18F]fluoro-N-[4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl]-N-methylbenzamide from mGluR1 in Sprague-Dawley rat brain hom...


J Med Chem 55: 2342-52 (2012)


Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50400999
PNG
(CHEMBL2206283)
Show SMILES CCN(Cc1cccnc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C22H22N6O2/c1-3-27(14-16-8-7-11-23-12-16)19(29)15-28-21-18(26(2)22(28)30)13-24-20(25-21)17-9-5-4-6-10-17/h4-13H,3,14-15H2,1-2H3
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13.2n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting


J Med Chem 54: 6040-9 (2011)


Article DOI: 10.1021/jm200516a
BindingDB Entry DOI: 10.7270/Q2C53N16
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50400331
PNG
(CHEMBL2181520)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H21N5OS/c1-12(2)22-17-9-15(20-11-21-17)16-10-26-19(23-16)24(4)18(25)14-7-5-13(3)6-8-14/h5-12H,1-4H3,(H,20,21,22)
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13.6n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [18F]FITM from mGlu1 receptor in rat brain homogenates after 1 hr by gamma counting


J Med Chem 55: 11042-51 (2012)


Article DOI: 10.1021/jm301597s
BindingDB Entry DOI: 10.7270/Q24Q7W5R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50400332
PNG
(CHEMBL2181521)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)
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22.2n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [18F]FITM from mGlu1 receptor in rat brain homogenates after 1 hr by gamma counting


J Med Chem 55: 11042-51 (2012)


Article DOI: 10.1021/jm301597s
BindingDB Entry DOI: 10.7270/Q24Q7W5R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50400330
PNG
(CHEMBL2181519)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H18N6OS/c1-12(2)23-17-8-15(21-11-22-17)16-10-27-19(24-16)25(3)18(26)14-6-4-13(9-20)5-7-14/h4-8,10-12H,1-3H3,(H,21,22,23)
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27.3n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [18F]FITM from mGlu1 receptor in rat brain homogenates after 1 hr by gamma counting


J Med Chem 55: 11042-51 (2012)


Article DOI: 10.1021/jm301597s
BindingDB Entry DOI: 10.7270/Q24Q7W5R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50312839
PNG
(CHEMBL1081622 | [18F]8-butoxy-N-cyclohexyl-7-(2-fl...)
Show SMILES CCCCOc1c(OCCF)ccc2cc(C(=O)NC3CCCCC3)c(=O)[nH]c12
Show InChI InChI=1S/C22H29FN2O4/c1-2-3-12-29-20-18(28-13-11-23)10-9-15-14-17(22(27)25-19(15)20)21(26)24-16-7-5-4-6-8-16/h9-10,14,16H,2-8,11-13H2,1H3,(H,24,26)(H,25,27)
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36n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 1565-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50400998
PNG
(CHEMBL2206284)
Show SMILES CN(Cc1cccnc1)C(=O)Cn1c2nc(ncc2n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C21H20N6O2/c1-25(13-15-7-6-10-22-11-15)18(28)14-27-20-17(26(2)21(27)29)12-23-19(24-20)16-8-4-3-5-9-16/h3-12H,13-14H2,1-2H3
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40n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]-PK-11195 from TPSO in Sprague-Dawley rat brain homogenate after 30 mins by gamma counting


J Med Chem 54: 6040-9 (2011)


Article DOI: 10.1021/jm200516a
BindingDB Entry DOI: 10.7270/Q2C53N16
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50388958
PNG
(CHEMBL2063723)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCF)cc1
Show InChI InChI=1S/C20H22FN5O2S/c1-13(2)24-18-10-16(22-12-23-18)17-11-29-20(25-17)26(3)19(27)14-4-6-15(7-5-14)28-9-8-21/h4-7,10-13H,8-9H2,1-3H3,(H,22,23,24)
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153n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of 4-[18F]fluoro-N-[4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl]-N-methylbenzamide from mGluR1 in Sprague-Dawley rat brain hom...


J Med Chem 55: 2342-52 (2012)


Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312841
PNG
(CHEMBL1081609 | US9139546, 30 | [11C](3',5'-dichlo...)
Show SMILES COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1cccs1
Show InChI InChI=1S/C18H12Cl2O3S/c1-23-15-8-11(18(22)16-3-2-4-24-16)7-14(21)17(15)10-5-12(19)9-13(20)6-10/h2-9,21H,1H3
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503n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 20: 1565-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312840
PNG
(CHEMBL1076680 | US9139546, 16 | [11C](3',5'-dichlo...)
Show SMILES COc1cc(cc(OC)c1-c1cc(Cl)cc(Cl)c1)C(O)c1cccs1
Show InChI InChI=1S/C19H16Cl2O3S/c1-23-15-8-12(19(22)17-4-3-5-25-17)9-16(24-2)18(15)11-6-13(20)10-14(21)7-11/h3-10,19,22H,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 20: 1565-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.074
BindingDB Entry DOI: 10.7270/Q2N29X34
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50388959
PNG
(CHEMBL2063724)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCCF)cc1
Show InChI InChI=1S/C21H24FN5O2S/c1-14(2)25-19-11-17(23-13-24-19)18-12-30-21(26-18)27(3)20(28)15-5-7-16(8-6-15)29-10-4-9-22/h5-8,11-14H,4,9-10H2,1-3H3,(H,23,24,25)
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>5.00E+3n/an/an/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of 4-[18F]fluoro-N-[4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl]-N-methylbenzamide from mGluR1 in Sprague-Dawley rat brain hom...


J Med Chem 55: 2342-52 (2012)


Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Mus musculus)
BDBM50333367
PNG
(6-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES Cc1c(nnn1-c1cccnc1F)-c1ccc2ncccc2c1
Show InChI InChI=1S/C17H12FN5/c1-11-16(13-6-7-14-12(10-13)4-2-8-19-14)21-22-23(11)15-5-3-9-20-17(15)18/h2-10H,1H3
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n/an/a 1.40n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mouse mGluR1


Bioorg Med Chem 19: 102-10 (2011)


Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50333367
PNG
(6-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES Cc1c(nnn1-c1cccnc1F)-c1ccc2ncccc2c1
Show InChI InChI=1S/C17H12FN5/c1-11-16(13-6-7-14-12(10-13)4-2-8-19-14)21-22-23(11)15-5-3-9-20-17(15)18/h2-10H,1H3
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n/an/a 3.60n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR1


Bioorg Med Chem 19: 102-10 (2011)


Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50301520
PNG
(4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)th...)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)
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n/an/a 13.9n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of 4-[18F]fluoro-N-[4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl]-N-methylbenzamide from mGluR1 in Sprague-Dawley rat brain hom...


J Med Chem 55: 2342-52 (2012)


Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor


(RAT)
BDBM50400331
PNG
(CHEMBL2181520)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H21N5OS/c1-12(2)22-17-9-15(20-11-21-17)16-10-26-19(23-16)24(4)18(25)14-7-5-13(3)6-8-14/h5-12H,1-4H3,(H,20,21,22)
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n/an/a 26.5n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [18F]FITM from mGlu1 receptor in rat brain homogenates after 1 hr by gamma counting


J Med Chem 55: 11042-51 (2012)


Article DOI: 10.1021/jm301597s
BindingDB Entry DOI: 10.7270/Q24Q7W5R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50388957
PNG
(CHEMBL2063722)
Show SMILES COc1ccc(cc1)C(=O)N(C)c1nc(cs1)-c1cc(NC(C)C)ncn1
Show InChI InChI=1S/C19H21N5O2S/c1-12(2)22-17-9-15(20-11-21-17)16-10-27-19(23-16)24(3)18(25)13-5-7-14(26-4)8-6-13/h5-12H,1-4H3,(H,20,21,22)
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n/an/a 32.7n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of 4-[18F]fluoro-N-[4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl]-N-methylbenzamide from mGluR1 in Sprague-Dawley rat brain hom...


J Med Chem 55: 2342-52 (2012)


Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50400332
PNG
(CHEMBL2181521)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)
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n/an/a 47n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [18F]FITM from mGlu1 receptor in rat brain homogenates after 1 hr by gamma counting


J Med Chem 55: 11042-51 (2012)


Article DOI: 10.1021/jm301597s
BindingDB Entry DOI: 10.7270/Q24Q7W5R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50400330
PNG
(CHEMBL2181519)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H18N6OS/c1-12(2)23-17-8-15(21-11-22-17)16-10-27-19(24-16)25(3)18(26)14-6-4-13(9-20)5-7-14/h4-8,10-12H,1-3H3,(H,21,22,23)
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n/an/a 64.7n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [18F]FITM from mGlu1 receptor in rat brain homogenates after 1 hr by gamma counting


J Med Chem 55: 11042-51 (2012)


Article DOI: 10.1021/jm301597s
BindingDB Entry DOI: 10.7270/Q24Q7W5R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50388958
PNG
(CHEMBL2063723)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCF)cc1
Show InChI InChI=1S/C20H22FN5O2S/c1-13(2)24-18-10-16(22-12-23-18)17-11-29-20(25-17)26(3)19(27)14-4-6-15(7-5-14)28-9-8-21/h4-7,10-13H,8-9H2,1-3H3,(H,22,23,24)
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n/an/a 395n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of 4-[18F]fluoro-N-[4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl]-N-methylbenzamide from mGluR1 in Sprague-Dawley rat brain hom...


J Med Chem 55: 2342-52 (2012)


Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50400331
PNG
(CHEMBL2181520)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H21N5OS/c1-12(2)22-17-9-15(20-11-21-17)16-10-26-19(23-16)24(4)18(25)14-7-5-13(3)6-8-14/h5-12H,1-4H3,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]-ABP688 from mGlu5 receptor in rat brain homogenates after 1 hr by gamma counting


J Med Chem 55: 11042-51 (2012)


Article DOI: 10.1021/jm301597s
BindingDB Entry DOI: 10.7270/Q24Q7W5R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50400330
PNG
(CHEMBL2181519)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H18N6OS/c1-12(2)23-17-8-15(21-11-22-17)16-10-27-19(24-16)25(3)18(26)14-6-4-13(9-20)5-7-14/h4-8,10-12H,1-3H3,(H,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]-ABP688 from mGlu5 receptor in rat brain homogenates after 1 hr by gamma counting


J Med Chem 55: 11042-51 (2012)


Article DOI: 10.1021/jm301597s
BindingDB Entry DOI: 10.7270/Q24Q7W5R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50301520
PNG
(4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)th...)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]-ABP688 from mGluR5 in Sprague-Dawley rat brain homogenates after 1 hr by gamma counting


J Med Chem 55: 2342-52 (2012)


Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50388959
PNG
(CHEMBL2063724)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCCF)cc1
Show InChI InChI=1S/C21H24FN5O2S/c1-14(2)25-19-11-17(23-13-24-19)18-12-30-21(26-18)27(3)20(28)15-5-7-16(8-6-15)29-10-4-9-22/h5-8,11-14H,4,9-10H2,1-3H3,(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]-ABP688 from mGluR5 in Sprague-Dawley rat brain homogenates after 1 hr by gamma counting


J Med Chem 55: 2342-52 (2012)


Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50388958
PNG
(CHEMBL2063723)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCF)cc1
Show InChI InChI=1S/C20H22FN5O2S/c1-13(2)24-18-10-16(22-12-23-18)17-11-29-20(25-17)26(3)19(27)14-4-6-15(7-5-14)28-9-8-21/h4-7,10-13H,8-9H2,1-3H3,(H,22,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]-ABP688 from mGluR5 in Sprague-Dawley rat brain homogenates after 1 hr by gamma counting


J Med Chem 55: 2342-52 (2012)


Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50388957
PNG
(CHEMBL2063722)
Show SMILES COc1ccc(cc1)C(=O)N(C)c1nc(cs1)-c1cc(NC(C)C)ncn1
Show InChI InChI=1S/C19H21N5O2S/c1-12(2)22-17-9-15(20-11-21-17)16-10-27-19(23-16)24(3)18(25)13-5-7-14(26-4)8-6-13/h5-12H,1-4H3,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]-ABP688 from mGluR5 in Sprague-Dawley rat brain homogenates after 1 hr by gamma counting


J Med Chem 55: 2342-52 (2012)


Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50388959
PNG
(CHEMBL2063724)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(OCCCF)cc1
Show InChI InChI=1S/C21H24FN5O2S/c1-14(2)25-19-11-17(23-13-24-19)18-12-30-21(26-18)27(3)20(28)15-5-7-16(8-6-15)29-10-4-9-22/h5-8,11-14H,4,9-10H2,1-3H3,(H,23,24,25)
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National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of 4-[18F]fluoro-N-[4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl]-N-methylbenzamide from mGluR1 in Sprague-Dawley rat brain hom...


J Med Chem 55: 2342-52 (2012)


Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50400332
PNG
(CHEMBL2181521)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)
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National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of [11C]-ABP688 from mGlu5 receptor in rat brain homogenates after 1 hr by gamma counting


J Med Chem 55: 11042-51 (2012)


Article DOI: 10.1021/jm301597s
BindingDB Entry DOI: 10.7270/Q24Q7W5R
More data for this
Ligand-Target Pair