Found 12 hits of Enzyme Inhibition Constant Data 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 |
|---|
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)) | 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
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
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)) | 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
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
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)) | 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
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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]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)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 | |
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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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
(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
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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 | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50139451
(CHEMBL3765747)Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1cnc2ccccc2c1N1CCOCC1 Show InChI InChI=1S/C21H22N2O3S/c1-15-7-8-17(13-16(15)2)27(24,25)20-14-22-19-6-4-3-5-18(19)21(20)23-9-11-26-12-10-23/h3-8,13-14H,9-12H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 52 | 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
(Rattus norvegicus (Rat)) | BDBM50139451
(CHEMBL3765747)Show SMILES Cc1ccc(cc1C)S(=O)(=O)c1cnc2ccccc2c1N1CCOCC1 Show InChI InChI=1S/C21H22N2O3S/c1-15-7-8-17(13-16(15)2)27(24,25)20-14-22-19-6-4-3-5-18(19)21(20)23-9-11-26-12-10-23/h3-8,13-14H,9-12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 68 | 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)) | BDBM50105838
(FENOBAM)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/h2-5H,6H2,1H3,(H2,13,14,15,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 51 | 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 HEK293 cell membranes after 1 hr by scintillation counting analysis |
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 | 
3D Structure (crystal) |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50105838
(FENOBAM)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/h2-5H,6H2,1H3,(H2,13,14,15,17,18) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 51 | 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 human mGlu5 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting analysis |
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 |
3D Structure (crystal) |
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