Found 214 hits with Last Name = 'galambos' and Initial = 'j' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50382290
(CARIPRAZINE HYDROCHLORIDE | RGH-188 HCL)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(.89,-12.18,;2.22,-12.95,;2.22,-14.49,;3.56,-12.18,;3.56,-10.64,;4.89,-12.95,;6.22,-12.18,;6.22,-10.64,;7.55,-9.86,;8.88,-10.64,;10.22,-9.87,;11.55,-10.65,;12.88,-9.88,;14.21,-10.66,;15.54,-9.9,;15.55,-8.36,;14.22,-7.58,;12.88,-8.35,;16.89,-7.6,;18.25,-8.33,;19.56,-7.51,;19.51,-5.97,;18.16,-5.25,;18.11,-3.71,;16.84,-6.06,;15.49,-5.33,;8.88,-12.18,;7.55,-12.94,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
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MCE
PC cid
PC sid
PDB
UniChem
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| Article
PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Binding affinity to human dopamine D3 receptor |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382312
(CHEMBL2024677)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(Cl)cc(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(6.35,-23.87,;7.68,-24.65,;7.68,-26.19,;9.02,-23.88,;9.02,-22.34,;10.35,-24.65,;11.68,-23.88,;11.68,-22.34,;13.01,-21.56,;14.34,-22.34,;15.68,-21.57,;17.01,-22.35,;18.34,-21.58,;19.67,-22.36,;21,-21.6,;21.01,-20.06,;19.68,-19.28,;18.34,-20.04,;22.35,-19.3,;23.68,-20.08,;25.02,-19.32,;26.35,-20.1,;25.03,-17.78,;23.69,-17,;23.7,-15.46,;22.36,-17.76,;14.34,-23.88,;13.01,-24.64,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-19-5-3-16(4-6-19)7-8-26-9-11-27(12-10-26)20-14-17(22)13-18(23)15-20/h13-16,19H,3-12H2,1-2H3,(H,24,28)/t16-,19- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382310
(CHEMBL2024675)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(Cl)ccc2Cl)CC1 |r,wU:6.5,wD:9.9,(23.12,-11.63,;24.45,-12.4,;24.45,-13.94,;25.79,-11.64,;25.79,-10.1,;27.12,-12.41,;28.45,-11.64,;28.45,-10.1,;29.78,-9.32,;31.11,-10.1,;32.45,-9.33,;33.78,-10.1,;35.11,-9.34,;36.44,-10.12,;37.77,-9.36,;37.78,-7.82,;36.45,-7.04,;35.11,-7.8,;39.12,-7.06,;39.13,-5.52,;40.46,-4.76,;40.46,-3.22,;41.8,-5.54,;41.79,-7.08,;40.45,-7.84,;40.44,-9.38,;31.11,-11.64,;29.78,-12.4,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-18-6-3-16(4-7-18)9-10-26-11-13-27(14-12-26)20-15-17(22)5-8-19(20)23/h5,8,15-16,18H,3-4,6-7,9-14H2,1-2H3,(H,24,28)/t16-,18- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50382290
(CARIPRAZINE HYDROCHLORIDE | RGH-188 HCL)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(.89,-12.18,;2.22,-12.95,;2.22,-14.49,;3.56,-12.18,;3.56,-10.64,;4.89,-12.95,;6.22,-12.18,;6.22,-10.64,;7.55,-9.86,;8.88,-10.64,;10.22,-9.87,;11.55,-10.65,;12.88,-9.88,;14.21,-10.66,;15.54,-9.9,;15.55,-8.36,;14.22,-7.58,;12.88,-8.35,;16.89,-7.6,;18.25,-8.33,;19.56,-7.51,;19.51,-5.97,;18.16,-5.25,;18.11,-3.71,;16.84,-6.06,;15.49,-5.33,;8.88,-12.18,;7.55,-12.94,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17- | PDB
Reactome pathway
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PC cid
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| DrugBank
Article
PubMed
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Binding affinity to human dopamine D2S receptor |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382306
(CHEMBL2024522)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2Cl)CC1 |r,wU:6.5,wD:9.9,(5.86,-.97,;7.19,-1.74,;7.19,-3.28,;8.53,-.97,;8.53,.57,;9.86,-1.74,;11.19,-.97,;11.19,.57,;12.52,1.35,;13.85,.57,;15.19,1.33,;16.52,.56,;17.85,1.33,;19.18,.55,;20.51,1.31,;20.52,2.85,;19.19,3.62,;17.85,2.86,;21.86,3.61,;21.87,5.14,;23.2,5.91,;24.54,5.13,;24.53,3.58,;23.19,2.83,;23.18,1.29,;13.85,-.97,;12.52,-1.73,)| Show InChI InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)20-6-4-3-5-19(20)22/h3-6,17-18H,7-16H2,1-2H3,(H,23,27)/t17-,18- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382311
(CHEMBL2024676)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(-8.97,-23.7,;-7.64,-24.48,;-7.64,-26.02,;-6.31,-23.71,;-6.3,-22.17,;-4.97,-24.48,;-3.64,-23.71,;-3.64,-22.17,;-2.31,-21.39,;-.98,-22.17,;.35,-21.4,;1.69,-22.17,;3.02,-21.41,;4.35,-22.19,;5.68,-21.43,;5.69,-19.89,;4.36,-19.11,;3.02,-19.87,;7.03,-19.13,;7.04,-17.59,;8.37,-16.83,;9.71,-17.61,;11.04,-16.85,;9.7,-19.15,;11.02,-19.93,;8.36,-19.91,;-.98,-23.71,;-2.31,-24.47,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-5-3-16(4-6-17)9-10-26-11-13-27(14-12-26)18-7-8-19(22)20(23)15-18/h7-8,15-17H,3-6,9-14H2,1-2H3,(H,24,28)/t16-,17- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50323373
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50139455
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382307
(CHEMBL2024523)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(24.62,.37,;25.95,-.4,;25.95,-1.94,;27.29,.37,;27.29,1.91,;28.62,-.41,;29.95,.37,;29.95,1.91,;31.28,2.68,;32.61,1.91,;33.95,2.67,;35.28,1.9,;36.61,2.66,;37.94,1.88,;39.27,2.64,;39.28,4.18,;37.95,4.96,;36.61,4.2,;40.62,4.95,;40.63,6.48,;41.96,7.24,;43.3,6.46,;43.29,4.92,;44.62,4.14,;41.95,4.16,;32.61,.37,;31.28,-.4,)| Show InChI InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-19-8-6-17(7-9-19)10-11-25-12-14-26(15-13-25)20-5-3-4-18(22)16-20/h3-5,16-17,19H,6-15H2,1-2H3,(H,23,27)/t17-,19- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50236748
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382309
(CHEMBL2024525)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)cc2Cl)CC1 |r,wU:6.5,wD:9.9,(3.15,-13.27,;4.48,-14.04,;4.48,-15.58,;5.81,-13.27,;5.81,-11.73,;7.15,-14.04,;8.48,-13.27,;8.48,-11.73,;9.81,-10.95,;11.14,-11.73,;12.47,-10.96,;13.8,-11.74,;15.14,-10.97,;16.46,-11.75,;17.8,-10.99,;17.81,-9.45,;16.48,-8.67,;15.13,-9.43,;19.15,-8.69,;19.15,-7.16,;20.49,-6.39,;21.82,-7.17,;23.16,-6.41,;21.81,-8.71,;20.48,-9.47,;20.46,-11.01,;11.14,-13.27,;9.81,-14.03,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-18-6-3-16(4-7-18)9-10-26-11-13-27(14-12-26)20-8-5-17(22)15-19(20)23/h5,8,15-16,18H,3-4,6-7,9-14H2,1-2H3,(H,24,28)/t16-,18- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50382290
(CARIPRAZINE HYDROCHLORIDE | RGH-188 HCL)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(.89,-12.18,;2.22,-12.95,;2.22,-14.49,;3.56,-12.18,;3.56,-10.64,;4.89,-12.95,;6.22,-12.18,;6.22,-10.64,;7.55,-9.86,;8.88,-10.64,;10.22,-9.87,;11.55,-10.65,;12.88,-9.88,;14.21,-10.66,;15.54,-9.9,;15.55,-8.36,;14.22,-7.58,;12.88,-8.35,;16.89,-7.6,;18.25,-8.33,;19.56,-7.51,;19.51,-5.97,;18.16,-5.25,;18.11,-3.71,;16.84,-6.06,;15.49,-5.33,;8.88,-12.18,;7.55,-12.94,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17- | PDB
Reactome pathway
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PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Binding affinity to human dopamine D2L receptor |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50236745
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CAS_63540-28-3 | CHEMBL239800 | Fenobam | NSC_2162...)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) | PDB
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| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Rattus norvegicus (Rat)) | BDBM50236742
(CHEMBL4098854)Show SMILES Fc1ccc(cc1)-c1c(cnc2c(F)cccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H11Cl2F2NO2S/c22-13-8-14(23)10-16(9-13)29(27,28)19-11-26-21-17(2-1-3-18(21)25)20(19)12-4-6-15(24)7-5-12/h1-11H | PDB
MMDB
Reactome pathway
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| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50382310
(CHEMBL2024675)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(Cl)ccc2Cl)CC1 |r,wU:6.5,wD:9.9,(23.12,-11.63,;24.45,-12.4,;24.45,-13.94,;25.79,-11.64,;25.79,-10.1,;27.12,-12.41,;28.45,-11.64,;28.45,-10.1,;29.78,-9.32,;31.11,-10.1,;32.45,-9.33,;33.78,-10.1,;35.11,-9.34,;36.44,-10.12,;37.77,-9.36,;37.78,-7.82,;36.45,-7.04,;35.11,-7.8,;39.12,-7.06,;39.13,-5.52,;40.46,-4.76,;40.46,-3.22,;41.8,-5.54,;41.79,-7.08,;40.45,-7.84,;40.44,-9.38,;31.11,-11.64,;29.78,-12.4,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-18-6-3-16(4-7-18)9-10-26-11-13-27(14-12-26)20-15-17(22)5-8-19(20)23/h5,8,15-16,18H,3-4,6-7,9-14H2,1-2H3,(H,24,28)/t16-,18- | PDB
Reactome pathway
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| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50323380
((1,2-dicyclohexyl-3-(6-thioxocyclohexa-1,3-dienyl)...)Show SMILES Cc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1 Show InChI InChI=1S/C27H36N2O2S/c1-20-10-8-15-23(18-20)28-27(30)31-29-26(22-13-6-3-7-14-22)25(19-24-16-9-17-32-24)21-11-4-2-5-12-21/h8-10,15-18,21-22,25H,2-7,11-14,19H2,1H3,(H,28,30)/b29-26+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50236711
(CHEMBL4096394)Show SMILES Fc1ccc2c(-c3ccc(Cl)cc3)c(cnc2c1)S(=O)(=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C21H11Cl2F2NO2S/c22-13-3-1-12(2-4-13)21-16-7-5-14(24)9-19(16)26-11-20(21)29(27,28)15-6-8-18(25)17(23)10-15/h1-11H | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50139453
(CHEMBL3763653)Show SMILES Fc1ccc(cc1F)S(=O)(=O)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H11ClF3NO2S/c22-13-6-4-12(5-7-13)20-15-2-1-3-17(24)21(15)26-11-19(20)29(27,28)14-8-9-16(23)18(25)10-14/h1-11H | PDB
MMDB
Reactome pathway
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PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50139453
(CHEMBL3763653)Show SMILES Fc1ccc(cc1F)S(=O)(=O)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H11ClF3NO2S/c22-13-6-4-12(5-7-13)20-15-2-1-3-17(24)21(15)26-11-19(20)29(27,28)14-8-9-16(23)18(25)10-14/h1-11H | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323371
((+)-1,2-dicyclohexyl-3-(1H-imidazol-1-yl)propan-1-...)Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cn2ccnc2)C2CCCCC2)C2CCCCC2)c1 Show InChI InChI=1S/C25H33ClN4O2/c26-21-12-7-13-22(16-21)28-25(31)32-29-24(20-10-5-2-6-11-20)23(17-30-15-14-27-18-30)19-8-3-1-4-9-19/h7,12-16,18-20,23H,1-6,8-11,17H2,(H,28,31)/b29-24+ | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 8.78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323378
((3-chlorophenylamino)(1,2-dicyclohexyl-3-(6-thioxo...)Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1 Show InChI InChI=1S/C26H33ClN2O2S/c27-21-13-7-14-22(17-21)28-26(30)31-29-25(20-11-5-2-6-12-20)24(18-23-15-8-16-32-23)19-9-3-1-4-10-19/h7-8,13-17,19-20,24H,1-6,9-12,18H2,(H,28,30)/b29-25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50139450
(CHEMBL3764138)Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H16ClNO2S/c1-15-6-12-18(13-7-15)27(25,26)21-14-24-20-5-3-2-4-19(20)22(21)16-8-10-17(23)11-9-16/h2-14H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
Similars
| Article
PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50139450
(CHEMBL3764138)Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H16ClNO2S/c1-15-6-12-18(13-7-15)27(25,26)21-14-24-20-5-3-2-4-19(20)22(21)16-8-10-17(23)11-9-16/h2-14H,1H3 | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50084137
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3 | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50139455
(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 | PDB
MMDB
KEGG
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UniChem
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PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]R21412 from mGluR5 in male human post mortem parietal cortical tissue after 30 mins by scintillation counting method |
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)) | BDBM50236751
(CHEMBL4091111)Show SMILES Fc1cccc(c1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H11Cl2F2NO2S/c22-13-7-14(23)9-17(8-13)29(27,28)20-11-26-19-10-16(25)4-5-18(19)21(20)12-2-1-3-15(24)6-12/h1-11H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50139455
(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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]R21412 from mGluR5 in female human post mortem parietal cortical tissue after 30 mins by scintillation counting method |
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)) | BDBM50323379
((1,2-dicyclohexyl-3-(6-thioxocyclohexa-1,3-dienyl)...)Show SMILES Fc1cccc(NC(=O)O\N=C(\C(Cc2cccs2)C2CCCCC2)C2CCCCC2)c1 Show InChI InChI=1S/C26H33FN2O2S/c27-21-13-7-14-22(17-21)28-26(30)31-29-25(20-11-5-2-6-12-20)24(18-23-15-8-16-32-23)19-9-3-1-4-10-19/h7-8,13-17,19-20,24H,1-6,9-12,18H2,(H,28,30)/b29-25+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50139452
(CHEMBL3764943)Show SMILES Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H11Cl2F2NO2S/c22-13-7-14(23)9-17(8-13)29(27,28)20-11-26-19-10-16(25)5-6-18(19)21(20)12-1-3-15(24)4-2-12/h1-11H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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UniChem
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PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50139452
(CHEMBL3764943)Show SMILES Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H11Cl2F2NO2S/c22-13-7-14(23)9-17(8-13)29(27,28)20-11-26-19-10-16(25)5-6-18(19)21(20)12-1-3-15(24)4-2-12/h1-11H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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UniChem
Patents
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PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50236752
(CHEMBL4068928)Show SMILES Fc1ccc(cc1)-c1c(cnc2c(F)cccc12)S(=O)(=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C21H11F4NO2S/c22-13-6-4-12(5-7-13)20-17-2-1-3-18(25)21(17)26-11-19(20)29(27,28)16-9-14(23)8-15(24)10-16/h1-11H | PDB
MMDB
Reactome pathway
KEGG
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382308
(CHEMBL2024524)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(-10.57,-12.75,;-9.23,-13.52,;-9.24,-15.06,;-7.9,-12.76,;-7.9,-11.22,;-6.57,-13.53,;-5.23,-12.76,;-5.23,-11.22,;-3.91,-10.44,;-2.58,-11.22,;-1.24,-10.45,;.09,-11.22,;1.43,-10.46,;2.75,-11.24,;4.08,-10.48,;4.1,-8.94,;2.77,-8.16,;1.42,-8.92,;5.44,-8.18,;6.76,-8.96,;8.1,-8.2,;8.11,-6.66,;9.45,-5.89,;6.77,-5.88,;5.44,-6.64,;-2.58,-12.76,;-3.91,-13.52,)| Show InChI InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-19-7-3-17(4-8-19)11-12-25-13-15-26(16-14-25)20-9-5-18(22)6-10-20/h5-6,9-10,17,19H,3-4,7-8,11-16H2,1-2H3,(H,23,27)/t17-,19- | KEGG
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| 13.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50323377
((3-chlorophenylamino)(1,2-dicyclohexyl-3-(5-thioxo...)Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cc2ccsc2)C2CCCCC2)C2CCCCC2)c1 Show InChI InChI=1S/C26H33ClN2O2S/c27-22-12-7-13-23(17-22)28-26(30)31-29-25(21-10-5-2-6-11-21)24(16-19-14-15-32-18-19)20-8-3-1-4-9-20/h7,12-15,17-18,20-21,24H,1-6,8-11,16H2,(H,28,30)/b29-25+ | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50066503
(CHEMBL3401575)Show SMILES Cc1ccc(cc1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H14ClNO2S2/c1-13-4-10-16(11-5-13)26(23,24)20-18(14-6-8-15(21)9-7-14)17-3-2-12-22-19(17)25-20/h2-12H,1H3 | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50382305
(CHEMBL2024521)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1 |r,wU:6.5,wD:9.9,(-10.22,-1.67,;-8.89,-2.44,;-8.89,-3.98,;-7.56,-1.67,;-7.56,-.13,;-6.22,-2.44,;-4.89,-1.67,;-4.89,-.13,;-3.56,.65,;-2.23,-.13,;-.9,.63,;.43,-.14,;1.77,.63,;3.09,-.15,;4.43,.61,;4.44,2.15,;3.11,2.92,;1.76,2.16,;5.78,2.91,;7.11,2.13,;8.44,2.88,;8.45,4.43,;7.12,5.21,;5.78,4.44,;-2.23,-1.67,;-3.56,-2.43,)| Show InChI InChI=1S/C21H34N4O/c1-23(2)21(26)22-19-10-8-18(9-11-19)12-13-24-14-16-25(17-15-24)20-6-4-3-5-7-20/h3-7,18-19H,8-17H2,1-2H3,(H,22,26)/t18-,19- | KEGG
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PubMed
| 15.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in Sf9 cells |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50323365
(1,2-dicyclohexyl-3-phenylpropan-1-one O-3-chloroph...)Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cc2ccccc2)C2CCCCC2)C2CCCCC2)c1 Show InChI InChI=1S/C28H35ClN2O2/c29-24-17-10-18-25(20-24)30-28(32)33-31-27(23-15-8-3-9-16-23)26(22-13-6-2-7-14-22)19-21-11-4-1-5-12-21/h1,4-5,10-12,17-18,20,22-23,26H,2-3,6-9,13-16,19H2,(H,30,32)/b31-27+ | PDB
MMDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Antagonist activity at mGLUR5 in rat E17 cells assessed as calcium accumulation by fluorimetry |
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)) | BDBM50236744
(CHEMBL4092590)Show SMILES Fc1ccc(cc1)S(=O)(=O)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H12ClF2NO2S/c22-14-6-4-13(5-7-14)20-17-2-1-3-18(24)21(17)25-12-19(20)28(26,27)16-10-8-15(23)9-11-16/h1-12H | PDB
MMDB
Reactome pathway
KEGG
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50323375
(CHEMBL1209400 | c1,2-dicyclohexyl-3-(1H-pyrrol-3-y...)Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cc2cc[nH]c2)C2CCCCC2)C2CCCCC2)c1 Show InChI InChI=1S/C26H34ClN3O2/c27-22-12-7-13-23(17-22)29-26(31)32-30-25(21-10-5-2-6-11-21)24(16-19-14-15-28-18-19)20-8-3-1-4-9-20/h7,12-15,17-18,20-21,24,28H,1-6,8-11,16H2,(H,29,31)/b30-25+ | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50236709
(CHEMBL4082155)Show SMILES Fc1ccc2c(-c3ccc(Cl)cc3)c(cnc2c1)S(=O)(=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C21H11ClF3NO2S/c22-13-3-1-12(2-4-13)21-16-7-5-14(23)9-19(16)26-11-20(21)29(27,28)15-6-8-17(24)18(25)10-15/h1-11H | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50139450
(CHEMBL3764138)Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H16ClNO2S/c1-15-6-12-18(13-7-15)27(25,26)21-14-24-20-5-3-2-4-19(20)22(21)16-8-10-17(23)11-9-16/h2-14H,1H3 | PDB
MMDB
KEGG
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UniChem
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PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]MPEP from recombinant human mGluR5a expressed in A18 cells 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
(Homo sapiens (Human)) | BDBM50139450
(CHEMBL3764138)Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H16ClNO2S/c1-15-6-12-18(13-7-15)27(25,26)21-14-24-20-5-3-2-4-19(20)22(21)16-8-10-17(23)11-9-16/h2-14H,1H3 | PDB
MMDB
KEGG
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UniChem
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PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]M-MPEP from recombinant human mGluR5a expressed in human A18 cell membrane homogenate 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)) | BDBM50236750
(CHEMBL4070152)Show SMILES Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C21H11F4NO2S/c22-13-3-1-12(2-4-13)21-18-6-5-14(23)10-19(18)26-11-20(21)29(27,28)17-8-15(24)7-16(25)9-17/h1-11H | PDB
MMDB
Reactome pathway
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50236712
(CHEMBL4069140)Show SMILES Fc1ccc(cc1)-c1c(cnc2cc(F)ccc12)S(=O)(=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C21H11F4NO2S/c22-13-3-1-12(2-4-13)21-16-7-5-14(23)9-19(16)26-11-20(21)29(27,28)15-6-8-17(24)18(25)10-15/h1-11H | PDB
MMDB
Reactome pathway
KEGG
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50382306
(CHEMBL2024522)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2Cl)CC1 |r,wU:6.5,wD:9.9,(5.86,-.97,;7.19,-1.74,;7.19,-3.28,;8.53,-.97,;8.53,.57,;9.86,-1.74,;11.19,-.97,;11.19,.57,;12.52,1.35,;13.85,.57,;15.19,1.33,;16.52,.56,;17.85,1.33,;19.18,.55,;20.51,1.31,;20.52,2.85,;19.19,3.62,;17.85,2.86,;21.86,3.61,;21.87,5.14,;23.2,5.91,;24.54,5.13,;24.53,3.58,;23.19,2.83,;23.18,1.29,;13.85,-.97,;12.52,-1.73,)| Show InChI InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)20-6-4-3-5-19(20)22/h3-6,17-18H,7-16H2,1-2H3,(H,23,27)/t17-,18- | PDB
Reactome pathway
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PubMed
| 19.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50382312
(CHEMBL2024677)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(Cl)cc(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(6.35,-23.87,;7.68,-24.65,;7.68,-26.19,;9.02,-23.88,;9.02,-22.34,;10.35,-24.65,;11.68,-23.88,;11.68,-22.34,;13.01,-21.56,;14.34,-22.34,;15.68,-21.57,;17.01,-22.35,;18.34,-21.58,;19.67,-22.36,;21,-21.6,;21.01,-20.06,;19.68,-19.28,;18.34,-20.04,;22.35,-19.3,;23.68,-20.08,;25.02,-19.32,;26.35,-20.1,;25.03,-17.78,;23.69,-17,;23.7,-15.46,;22.36,-17.76,;14.34,-23.88,;13.01,-24.64,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-19-5-3-16(4-6-19)7-8-26-9-11-27(12-10-26)20-14-17(22)13-18(23)15-20/h13-16,19H,3-12H2,1-2H3,(H,24,28)/t16-,19- | PDB
Reactome pathway
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| 20.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes |
Bioorg Med Chem Lett 22: 3437-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.104
BindingDB Entry DOI: 10.7270/Q2ZW1MZN |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50139456
(CHEMBL3765437)Show SMILES CC1CCN(CC1)c1c(cnc2ccccc12)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C22H24N2O2S/c1-16-7-9-18(10-8-16)27(25,26)21-15-23-20-6-4-3-5-19(20)22(21)24-13-11-17(2)12-14-24/h3-10,15,17H,11-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
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