Found 364 hits with Last Name = 'szombathelyi' and Initial = 'z' 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
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| 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
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| 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 | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066519
(CHEMBL3403102)Show SMILES Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccccc1F)C#N |(8.48,2.75,;7.25,2.74,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.95,1.38,;6.49,1.4,;4.2,.04,;4.82,-1.02,;5.43,.05,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;4.14,5.37,;3.51,6.43,)| Show InChI InChI=1S/C20H10F2N2O2S2/c21-13-8-12(11-23)9-14(10-13)28(25,26)20-18(15-4-1-2-6-17(15)22)16-5-3-7-24-19(16)27-20/h1-10H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | 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 cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066730
(CHEMBL3403126)Show SMILES Nc1cnc2sc(c(-c3ccccc3F)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;6.49,1.4,;7.25,2.74,;8.48,2.75,;6.46,4.06,;4.92,4.05,;4.17,2.7,;4.14,5.37,;3.51,6.43,)| Show InChI InChI=1S/C20H11F2N3O2S2/c21-12-5-11(9-23)6-14(7-12)29(26,27)20-18(15-3-1-2-4-17(15)22)16-8-13(24)10-25-19(16)28-20/h1-8,10H,24H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | 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 rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
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 | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066735
(CHEMBL3403121)Show SMILES Nc1cnc2sc(c(-c3ccccc3F)c2c1)S(=O)(=O)c1cccc(c1)C#N |(-3.45,-1.38,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.69,;4.09,-4.62,;3.72,-3.12,;4.61,-2.27,;.3,-.77,;-1.03,-1.55,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.25,2.74,;6.49,1.4,;8.79,2.75,;10.02,2.77,)| Show InChI InChI=1S/C20H12FN3O2S2/c21-17-7-2-1-6-15(17)18-16-9-13(23)11-24-19(16)27-20(18)28(25,26)14-5-3-4-12(8-14)10-22/h1-9,11H,23H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | 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 rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066731
(CHEMBL3403125)Show SMILES Nc1cnc2sc(c(-c3cccc(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H11F2N3O2S2/c21-13-3-1-2-12(6-13)18-17-8-15(24)10-25-19(17)28-20(18)29(26,27)16-5-11(9-23)4-14(22)7-16/h1-8,10H,24H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90 | 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]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066366
(CHEMBL3401592)Show SMILES Fc1cc(cc(c1)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1)C#N Show InChI InChI=1S/C20H10ClFN2O2S2/c21-14-5-3-13(4-6-14)18-17-2-1-7-24-19(17)27-20(18)28(25,26)16-9-12(11-23)8-15(22)10-16/h1-10H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066734
(CHEMBL3403122)Show SMILES Nc1cnc2sc(c(-c3ccc(Cl)cc3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H11ClFN3O2S2/c21-13-3-1-12(2-4-13)18-17-8-15(24)10-25-19(17)28-20(18)29(26,27)16-6-11(9-23)5-14(22)7-16/h1-8,10H,24H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.20 | 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 rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066520
(CHEMBL3403101)Show SMILES Fc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H10F2N2O2S2/c21-14-4-1-3-13(9-14)18-17-5-2-6-24-19(17)27-20(18)28(25,26)16-8-12(11-23)7-15(22)10-16/h1-10H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | 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 rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066521
(CHEMBL3403100)Show SMILES Fc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H10F2N2O2S2/c21-14-5-3-13(4-6-14)18-17-2-1-7-24-19(17)27-20(18)28(25,26)16-9-12(11-23)8-15(22)10-16/h1-10H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | 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 cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066728
(CHEMBL3403128)Show SMILES Nc1cnc2sc(c(-c3cc(F)cc(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H10F3N3O2S2/c21-12-1-10(8-24)2-16(6-12)30(27,28)20-18(11-3-13(22)5-14(23)4-11)17-7-15(25)9-26-19(17)29-20/h1-7,9H,25H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40 | 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 cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066671
(CHEMBL3403146)Show SMILES Fc1cccc(c1)-c1c(sc2nc(F)ccc12)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H9F3N2O2S2/c21-13-3-1-2-12(8-13)18-16-4-5-17(23)25-19(16)28-20(18)29(26,27)15-7-11(10-24)6-14(22)9-15/h1-9H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | 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 rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066729
(CHEMBL3403127)Show SMILES Nc1cnc2sc(c(-c3ccc(F)c(F)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H10F3N3O2S2/c21-12-3-10(8-24)4-14(6-12)30(27,28)20-18(11-1-2-16(22)17(23)5-11)15-7-13(25)9-26-19(15)29-20/h1-7,9H,25H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gedeon Richter Plc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066732
(CHEMBL3403124)Show SMILES Nc1cnc2sc(c(-c3ccc(F)cc3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H11F2N3O2S2/c21-13-3-1-12(2-4-13)18-17-8-15(24)10-25-19(17)28-20(18)29(26,27)16-6-11(9-23)5-14(22)7-16/h1-8,10H,24H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | 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 rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066713
(CHEMBL3403145)Show SMILES Fc1ccc(cc1)-c1c(sc2nc(F)ccc12)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H9F3N2O2S2/c21-13-3-1-12(2-4-13)18-16-5-6-17(23)25-19(16)28-20(18)29(26,27)15-8-11(10-24)7-14(22)9-15/h1-9H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | 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 rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066751
(CHEMBL3403094)Show SMILES Cc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C21H14N2O2S2/c1-14-7-9-16(10-8-14)19-18-6-3-11-23-20(18)26-21(19)27(24,25)17-5-2-4-15(12-17)13-22/h2-12H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | 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 cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
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)) | BDBM50066362
(CHEMBL3401594)Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClNO2S2/c1-13-5-10-17(12-14(13)2)27(24,25)21-19(15-6-8-16(22)9-7-15)18-4-3-11-23-20(18)26-21/h3-12H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50323373
(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
(Rattus norvegicus (Rat)) | BDBM50066754
(CHEMBL3403091)Show SMILES Clc1ccccc1-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N |(4.61,-2.27,;3.72,-3.12,;4.09,-4.62,;2.98,-5.69,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;4.2,.04,;4.82,-1.02,;5.43,.05,;4.95,1.38,;4.17,2.7,;4.92,4.05,;6.46,4.06,;7.25,2.74,;6.49,1.4,;8.79,2.75,;10.02,2.77,)| Show InChI InChI=1S/C20H11ClN2O2S2/c21-17-9-2-1-7-15(17)18-16-8-4-10-23-19(16)26-20(18)27(24,25)14-6-3-5-13(11-14)12-22/h1-11H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | 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 rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066498
(CHEMBL3401580)Show SMILES Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C20H11ClN2O2S2/c21-15-8-6-14(7-9-15)18-17-5-2-10-23-19(17)26-20(18)27(24,25)16-4-1-3-13(11-16)12-22/h1-11H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10 | 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 cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066736
(CHEMBL3403120)Show SMILES Nc1cnc2sc(c(-c3cccc(F)c3)c2c1)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C20H12FN3O2S2/c21-14-5-2-4-13(8-14)18-17-9-15(23)11-24-19(17)27-20(18)28(25,26)16-6-1-3-12(7-16)10-22/h1-9,11H,23H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | 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 rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066753
(CHEMBL3403092)Show SMILES Fc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C20H11FN2O2S2/c21-15-8-6-14(7-9-15)18-17-5-2-10-23-19(17)26-20(18)27(24,25)16-4-1-3-13(11-16)12-22/h1-11H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | 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 rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066752
(CHEMBL3403093)Show SMILES Fc1cccc(c1)-c1c(sc2ncccc12)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C20H11FN2O2S2/c21-15-6-2-5-14(11-15)18-17-8-3-9-23-19(17)26-20(18)27(24,25)16-7-1-4-13(10-16)12-22/h1-11H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | 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 rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50139455
(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)) | 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)) | 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)) | 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 | |
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
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| CHEMBL
PC cid
PC sid
UniChem
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| 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 | |
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
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| CHEMBL
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PC sid
UniChem
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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
GoogleScholar
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CHEMBL
PC cid
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PubMed
| 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
UniProtKB/SwissProt
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UniChem
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PubMed
| 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
(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
MMDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 6.76 | 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 mGluR5 |
Bioorg Med Chem Lett 20: 3737-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066434
(CHEMBL3401588)Show SMILES Cc1ccc(cc1Cl)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H13Cl2NO2S2/c1-12-4-9-15(11-17(12)22)27(24,25)20-18(13-5-7-14(21)8-6-13)16-3-2-10-23-19(16)26-20/h2-11H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 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 rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | 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
KEGG
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CHEMBL
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PubMed
| 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 | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066733
(CHEMBL3403123)Show SMILES Nc1cnc2sc(c(-c3cccc(Cl)c3)c2c1)S(=O)(=O)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C20H11ClFN3O2S2/c21-13-3-1-2-12(6-13)18-17-8-15(24)10-25-19(17)28-20(18)29(26,27)16-5-11(9-23)4-14(22)7-16/h1-8,10H,24H2 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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UniChem
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PubMed
| 7.20 | 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 rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50066369
(CHEMBL3401590)Show SMILES COc1ccc(cc1F)S(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H13ClFNO3S2/c1-26-17-9-8-14(11-16(17)22)28(24,25)20-18(12-4-6-13(21)7-5-12)15-3-2-10-23-19(15)27-20/h2-11H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.90 | 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]-M-MPEP from rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 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)) | BDBM50066716
(CHEMBL3403140)Show SMILES Fc1ccc2c(c(sc2n1)S(=O)(=O)c1cccc(c1)C#N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H10ClFN2O2S2/c21-14-6-4-13(5-7-14)18-16-8-9-17(22)24-19(16)27-20(18)28(25,26)15-3-1-2-12(10-15)11-23/h1-10H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | 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
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GoogleScholar
AffyNet
| 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| 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 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
KEGG
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CHEMBL
PC cid
PC sid
UniChem
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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)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
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)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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)) | BDBM50066737
(CHEMBL3403119)Show SMILES Nc1cnc2sc(c(-c3ccc(F)cc3)c2c1)S(=O)(=O)c1cccc(c1)C#N Show InChI InChI=1S/C20H12FN3O2S2/c21-14-6-4-13(5-7-14)18-17-9-15(23)11-24-19(17)27-20(18)28(25,26)16-3-1-2-12(8-16)10-22/h1-9,11H,23H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.80 | 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 rat cerebrocortical mGluR5 receptor |
Bioorg Med Chem Lett 25: 1724-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.073
BindingDB Entry DOI: 10.7270/Q2JS9S47 |
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Ligand-Target Pair | |
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