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Compile Data Set for Download or QSAR

Found 167 hits with Last Name = 'brownell' and Initial = 'al'   
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 2


(Homo sapiens (Human))
BDBM50151435
PNG
((1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichloro-benzyloxy...)
Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Binding affinity to mGLUR2


Bioorg Med Chem Lett 22: 1958-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.039
BindingDB Entry DOI: 10.7270/Q2T72JJ1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50151435
PNG
((1R,2R,3R,5R,6R)-2-Amino-3-(3,4-dichloro-benzyloxy...)
Show SMILES N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Binding affinity to mGLUR3


Bioorg Med Chem Lett 22: 1958-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.039
BindingDB Entry DOI: 10.7270/Q2T72JJ1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM403460
PNG
(US10335399, Example 2-5 | US10806724, Example 2-5)
Show SMILES CC1(C)CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O
Show InChI InChI=1S/C17H16F2N2O2/c1-17(2)6-5-11-12(10-4-3-9(18)7-13(10)19)8-14(15(20)22)21-16(11)23-17/h3-4,7-8H,5-6H2,1-2H3,(H2,20,22)
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59n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human recombinant mGlur2 assessed as inhibition constant by cAMP Glosensor assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02004
BindingDB Entry DOI: 10.7270/Q2TQ65FG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM403460
PNG
(US10335399, Example 2-5 | US10806724, Example 2-5)
Show SMILES CC1(C)CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O
Show InChI InChI=1S/C17H16F2N2O2/c1-17(2)6-5-11-12(10-4-3-9(18)7-13(10)19)8-14(15(20)22)21-16(11)23-17/h3-4,7-8H,5-6H2,1-2H3,(H2,20,22)
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59n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human recombinant mGlur2 assessed as inhibition constant by cAMP Glosensor assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02004
BindingDB Entry DOI: 10.7270/Q2TQ65FG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50584759
PNG
(CHEMBL5089623)
Show SMILES COc1ccc(c(F)c1)-c1cc(nc2OC(C)(C)CCc12)C(N)=O
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63n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human recombinant mGlur2 assessed as inhibition constant by cAMP Glosensor assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02004
BindingDB Entry DOI: 10.7270/Q2TQ65FG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50584759
PNG
(CHEMBL5089623)
Show SMILES COc1ccc(c(F)c1)-c1cc(nc2OC(C)(C)CCc12)C(N)=O
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63n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human recombinant mGlur2 assessed as inhibition constant by cAMP Glosensor assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02004
BindingDB Entry DOI: 10.7270/Q2TQ65FG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50046734
PNG
(3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2 |THB:2:4:19:6.7|
Show InChI InChI=1S/C15H17Cl2NO2/c1-20-15(19)14-10(7-9-3-5-13(14)18-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3
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n/an/a 0.660n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7|
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50010195
PNG
((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50046734
PNG
(3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2 |THB:2:4:19:6.7|
Show InChI InChI=1S/C15H17Cl2NO2/c1-20-15(19)14-10(7-9-3-5-13(14)18-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50046732
PNG
((R)-3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]octane...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C15H18ClNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50010195
PNG
((3S,5R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 2.5n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50035730
PNG
(3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7|
Show InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3
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n/an/a 2.5n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116512
PNG
(CHEMBL3609741)
Show SMILES FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H10ClFN2O2/c14-10-5-4-9(7-12(10)19-8-15)17-13(18)11-3-1-2-6-16-11/h1-7H,8H2,(H,17,18)
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n/an/a 3.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116512
PNG
(CHEMBL3609741)
Show SMILES FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H10ClFN2O2/c14-10-5-4-9(7-12(10)19-8-15)17-13(18)11-3-1-2-6-16-11/h1-7H,8H2,(H,17,18)
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n/an/a 3.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116512
PNG
(CHEMBL3609741)
Show SMILES FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H10ClFN2O2/c14-10-5-4-9(7-12(10)19-8-15)17-13(18)11-3-1-2-6-16-11/h1-7H,8H2,(H,17,18)
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n/an/a 3.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116512
PNG
(CHEMBL3609741)
Show SMILES FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H10ClFN2O2/c14-10-5-4-9(7-12(10)19-8-15)17-13(18)11-3-1-2-6-16-11/h1-7H,8H2,(H,17,18)
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n/an/a 3.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116513
PNG
(CHEMBL3609743)
Show SMILES [2H]C([2H])(F)Oc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H11FN2O2/c14-9-18-11-5-3-4-10(8-11)16-13(17)12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17)/i9D2
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n/an/a 3.70n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116513
PNG
(CHEMBL3609743)
Show SMILES [2H]C([2H])(F)Oc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H11FN2O2/c14-9-18-11-5-3-4-10(8-11)16-13(17)12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17)/i9D2
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n/an/a 3.70n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50031313
PNG
(CHEMBL3357575)
Show SMILES Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C21H14ClN3O3/c1-12-5-4-6-14-18(12)21(28)25(20(14)27)17-9-8-13(11-15(17)22)24-19(26)16-7-2-3-10-23-16/h2-11H,1H3,(H,24,26)
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n/an/a 4.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 57: 9130-8 (2014)


Article DOI: 10.1021/jm501245b
BindingDB Entry DOI: 10.7270/Q2SX6FS1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50031313
PNG
(CHEMBL3357575)
Show SMILES Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C21H14ClN3O3/c1-12-5-4-6-14-18(12)21(28)25(20(14)27)17-9-8-13(11-15(17)22)24-19(26)16-7-2-3-10-23-16/h2-11H,1H3,(H,24,26)
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n/an/a 4.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 57: 9130-8 (2014)


Article DOI: 10.1021/jm501245b
BindingDB Entry DOI: 10.7270/Q2SX6FS1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50293720
PNG
(CHEMBL541754 | N-(3-(difluoromethoxy)phenyl)picoli...)
Show SMILES FC(F)Oc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H10F2N2O2/c14-13(15)19-10-5-3-4-9(8-10)17-12(18)11-6-1-2-7-16-11/h1-8,13H,(H,17,18)
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n/an/a 4.60n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50293720
PNG
(CHEMBL541754 | N-(3-(difluoromethoxy)phenyl)picoli...)
Show SMILES FC(F)Oc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H10F2N2O2/c14-13(15)19-10-5-3-4-9(8-10)17-12(18)11-6-1-2-7-16-11/h1-8,13H,(H,17,18)
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n/an/a 4.60n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116520
PNG
(CHEMBL1300476)
Show SMILES CSc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H12N2OS/c1-17-11-6-4-5-10(9-11)15-13(16)12-7-2-3-8-14-12/h2-9H,1H3,(H,15,16)
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n/an/a 4.90n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116520
PNG
(CHEMBL1300476)
Show SMILES CSc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H12N2OS/c1-17-11-6-4-5-10(9-11)15-13(16)12-7-2-3-8-14-12/h2-9H,1H3,(H,15,16)
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n/an/a 4.90n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/a 5.10n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50031312
PNG
(CHEMBL3357574)
Show SMILES Fc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C20H11ClFN3O3/c21-13-10-11(24-18(26)15-6-1-2-9-23-15)7-8-16(13)25-19(27)12-4-3-5-14(22)17(12)20(25)28/h1-10H,(H,24,26)
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n/an/a 5.10n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 57: 9130-8 (2014)


Article DOI: 10.1021/jm501245b
BindingDB Entry DOI: 10.7270/Q2SX6FS1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50031312
PNG
(CHEMBL3357574)
Show SMILES Fc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C20H11ClFN3O3/c21-13-10-11(24-18(26)15-6-1-2-9-23-15)7-8-16(13)25-19(27)12-4-3-5-14(22)17(12)20(25)28/h1-10H,(H,24,26)
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n/an/a 5.10n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 57: 9130-8 (2014)


Article DOI: 10.1021/jm501245b
BindingDB Entry DOI: 10.7270/Q2SX6FS1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116509
PNG
(CHEMBL3609738)
Show SMILES Clc1ccc(NC(=O)c2ccccn2)cc1C#N
Show InChI InChI=1S/C13H8ClN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)
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n/an/a 5.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116509
PNG
(CHEMBL3609738)
Show SMILES Clc1ccc(NC(=O)c2ccccn2)cc1C#N
Show InChI InChI=1S/C13H8ClN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)
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n/an/a 5.30n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50035738
PNG
((R)-3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3
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n/an/a 5.90n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM403460
PNG
(US10335399, Example 2-5 | US10806724, Example 2-5)
Show SMILES CC1(C)CCc2c(O1)nc(cc2-c1ccc(F)cc1F)C(N)=O
Show InChI InChI=1S/C17H16F2N2O2/c1-17(2)6-5-11-12(10-4-3-9(18)7-13(10)19)8-14(15(20)22)21-16(11)23-17/h3-4,7-8H,5-6H2,1-2H3,(H2,20,22)
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TBA

Assay Description
Negative allosteric modulation activity at human recombinant mGlur2 expressed in CHO cells in presence of cAMP by chemiluminescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02004
BindingDB Entry DOI: 10.7270/Q2TQ65FG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116472
PNG
(CHEMBL3609734)
Show SMILES FC(F)Oc1cccc(NC(=O)c2cccc(F)n2)c1
Show InChI InChI=1S/C13H9F3N2O2/c14-11-6-2-5-10(18-11)12(19)17-8-3-1-4-9(7-8)20-13(15)16/h1-7,13H,(H,17,19)
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n/an/a 6.60n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116472
PNG
(CHEMBL3609734)
Show SMILES FC(F)Oc1cccc(NC(=O)c2cccc(F)n2)c1
Show InChI InChI=1S/C13H9F3N2O2/c14-11-6-2-5-10(18-11)12(19)17-8-3-1-4-9(7-8)20-13(15)16/h1-7,13H,(H,17,19)
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n/an/a 6.70n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116461
PNG
(CHEMBL3608323)
Show SMILES COc1cc(NC(=O)c2cccc(F)n2)ccc1Cl
Show InChI InChI=1S/C13H10ClFN2O2/c1-19-11-7-8(5-6-9(11)14)16-13(18)10-3-2-4-12(15)17-10/h2-7H,1H3,(H,16,18)
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n/an/a 7.30n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116461
PNG
(CHEMBL3608323)
Show SMILES COc1cc(NC(=O)c2cccc(F)n2)ccc1Cl
Show InChI InChI=1S/C13H10ClFN2O2/c1-19-11-7-8(5-6-9(11)14)16-13(18)10-3-2-4-12(15)17-10/h2-7H,1H3,(H,16,18)
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n/an/a 7.40n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116508
PNG
(CHEMBL3609737)
Show SMILES Fc1ccc(NC(=O)c2ccccn2)cc1C#N
Show InChI InChI=1S/C13H8FN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)
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n/an/a 7.40n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116508
PNG
(CHEMBL3609737)
Show SMILES Fc1ccc(NC(=O)c2ccccn2)cc1C#N
Show InChI InChI=1S/C13H8FN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)
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Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50046733
PNG
(3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(Br)c1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
Show InChI InChI=1S/C16H20BrNO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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n/an/a 7.90n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM393885
PNG
(US10597367, Example 182 | US9969726, Example 182)
Show SMILES Brc1ccc2N=C(CC(=O)Nc2c1)c1ccnc(c1)C#N |c:5|
Show InChI InChI=1S/C15H9BrN4O/c16-10-1-2-12-14(6-10)20-15(21)7-13(19-12)9-3-4-18-11(5-9)8-17/h1-6H,7H2,(H,20,21)
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n/an/a 8.30n/an/an/an/an/an/a


TBA

Assay Description
Negative allosteric modulator activity at human recombinant mGlur2 expressed in HEK293 cells by calcium assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02004
BindingDB Entry DOI: 10.7270/Q2TQ65FG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50293720
PNG
(CHEMBL541754 | N-(3-(difluoromethoxy)phenyl)picoli...)
Show SMILES FC(F)Oc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H10F2N2O2/c14-13(15)19-10-5-3-4-9(8-10)17-12(18)11-6-1-2-7-16-11/h1-8,13H,(H,17,18)
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n/an/a 9.90n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 57: 9130-8 (2014)


Article DOI: 10.1021/jm501245b
BindingDB Entry DOI: 10.7270/Q2SX6FS1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116489
PNG
(CHEMBL3609736)
Show SMILES O=C(Nc1cccc(c1)C#N)c1ccccn1
Show InChI InChI=1S/C13H9N3O/c14-9-10-4-3-5-11(8-10)16-13(17)12-6-1-2-7-15-12/h1-8H,(H,16,17)
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n/an/a 10n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116489
PNG
(CHEMBL3609736)
Show SMILES O=C(Nc1cccc(c1)C#N)c1ccccn1
Show InChI InChI=1S/C13H9N3O/c14-9-10-4-3-5-11(8-10)16-13(17)12-6-1-2-7-15-12/h1-8H,(H,16,17)
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n/an/a 10n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50046736
PNG
((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C |THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50293720
PNG
(CHEMBL541754 | N-(3-(difluoromethoxy)phenyl)picoli...)
Show SMILES FC(F)Oc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H10F2N2O2/c14-13(15)19-10-5-3-4-9(8-10)17-12(18)11-6-1-2-7-16-11/h1-8,13H,(H,17,18)
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n/an/a 10n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 57: 9130-8 (2014)


Article DOI: 10.1021/jm501245b
BindingDB Entry DOI: 10.7270/Q2SX6FS1
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50451132
PNG
(CHEMBL2079586 | WIN-35428)
Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2|
Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14-,15+/m1/s1
NCI pathway
Reactome pathway
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n/an/a 11n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50031313
PNG
(CHEMBL3357575)
Show SMILES Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C21H14ClN3O3/c1-12-5-4-6-14-18(12)21(28)25(20(14)27)17-9-8-13(11-15(17)22)24-19(26)16-7-2-3-10-23-16/h2-11H,1H3,(H,24,26)
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n/an/a 11n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-(4-{[(2- Chlorophenyl)amino]sulfonyl} phenyl )pyridine-2-carboxamide from human mGlu4 receptor after 30 mins by scintillation ...


J Med Chem 57: 9130-8 (2014)


Article DOI: 10.1021/jm501245b
BindingDB Entry DOI: 10.7270/Q2SX6FS1
More data for this
Ligand-Target Pair
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