Found 44 hits with Last Name = 'gogi' and Initial = 'kk' 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 3
(Homo sapiens (Human)) | BDBM50401091
(CHEMBL2204436 | CHEMBL2385894)Show SMILES Clc1ccc(CN[C@H]2CCN(C2)c2ncc(Br)cn2)c(Cl)c1 |r| Show InChI InChI=1S/C15H15BrCl2N4/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18/h1-2,5,7-8,13,19H,3-4,6,9H2/t13-/m0/s1 | PDB
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of human mGlu3 expressed in AV-12 cells in presence of glutamate EC90 concentration by FLIPR assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50332963
(4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7-methyl-8-...)Show SMILES Cc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16| Show InChI InChI=1S/C24H20F3N3O/c1-13-7-21-22(11-19(13)24(25,26)27)30-23(31)12-20(29-21)17-6-4-5-16(10-17)18-8-14(2)28-15(3)9-18/h4-11H,12H2,1-3H3,(H,30,31) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50332963
(4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7-methyl-8-...)Show SMILES Cc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16| Show InChI InChI=1S/C24H20F3N3O/c1-13-7-21-22(11-19(13)24(25,26)27)30-23(31)12-20(29-21)17-6-4-5-16(10-17)18-8-14(2)28-15(3)9-18/h4-11H,12H2,1-3H3,(H,30,31) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 296 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu2 by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401086
(CHEMBL2204445)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1 | PDB
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as inhibition of glutamate-induced calcium mobilization in presence of Galpha15 by cell based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401086
(CHEMBL2204445)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1 | PDB
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401086
(CHEMBL2204445)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1 | PDB
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401085
(CHEMBL2204446)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401085
(CHEMBL2204446)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401088
(CHEMBL2204439)Show InChI InChI=1S/C21H21NO3/c1-25-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)22-14-2-3-19(23)15-22/h6-13,19,23H,2-3,14-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401088
(CHEMBL2204439)Show InChI InChI=1S/C21H21NO3/c1-25-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)22-14-2-3-19(23)15-22/h6-13,19,23H,2-3,14-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401085
(CHEMBL2204446)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401090
(CHEMBL2204437)Show InChI InChI=1S/C21H21NO3/c1-25-20-10-6-17(7-11-20)3-2-16-4-8-18(9-5-16)21(24)22-14-12-19(23)13-15-22/h4-11,19,23H,12-15H2,1H3 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401090
(CHEMBL2204437)Show InChI InChI=1S/C21H21NO3/c1-25-20-10-6-17(7-11-20)3-2-16-4-8-18(9-5-16)21(24)22-14-12-19(23)13-15-22/h4-11,19,23H,12-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401091
(CHEMBL2204436 | CHEMBL2385894)Show SMILES Clc1ccc(CN[C@H]2CCN(C2)c2ncc(Br)cn2)c(Cl)c1 |r| Show InChI InChI=1S/C15H15BrCl2N4/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18/h1-2,5,7-8,13,19H,3-4,6,9H2/t13-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401089
(CHEMBL2204438)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC(C)(O)CC1 Show InChI InChI=1S/C22H23NO3/c1-22(25)13-15-23(16-14-22)21(24)19-9-5-17(6-10-19)3-4-18-7-11-20(26-2)12-8-18/h5-12,25H,13-16H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401089
(CHEMBL2204438)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC(C)(O)CC1 Show InChI InChI=1S/C22H23NO3/c1-22(25)13-15-23(16-14-22)21(24)19-9-5-17(6-10-19)3-4-18-7-11-20(26-2)12-8-18/h5-12,25H,13-16H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50441232
(CHEMBL2431173)Show InChI InChI=1S/C18H15FN2O2/c1-18(11-23-12-18)21-17(22)16-8-7-14(10-20-16)6-5-13-3-2-4-15(19)9-13/h2-4,7-10H,11-12H2,1H3,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
J Med Chem 56: 7976-96 (2013)
Article DOI: 10.1021/jm401028t BindingDB Entry DOI: 10.7270/Q2571DFR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401085
(CHEMBL2204446)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401087
(CHEMBL2204440)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C22H21NO4/c1-27-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)23-14-2-3-19(15-23)22(25)26/h6-13,19H,2-3,14-15H2,1H3,(H,25,26)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401087
(CHEMBL2204440)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C22H21NO4/c1-27-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)23-14-2-3-19(15-23)22(25)26/h6-13,19H,2-3,14-15H2,1H3,(H,25,26)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50401086
(CHEMBL2204445)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1 | PDB
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu2 by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50401085
(CHEMBL2204446)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu2 by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Rattus norvegicus (Rat)) | BDBM50337957
((4-hydroxypiperidin-1-yl)(4-(phenylethynyl)phenyl)...)Show InChI InChI=1S/C20H19NO2/c22-19-12-14-21(15-13-19)20(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,19,22H,12-15H2 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of rat mGlu3 assessed as assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50401086
(CHEMBL2204445)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1 | PDB MMDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu5 assessed as inhibition of glutamate-induced calcium mobilization by cell based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401094
(CHEMBL2204441)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C22H21NO4/c1-27-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)23-14-2-3-19(15-23)22(25)26/h6-13,19H,2-3,14-15H2,1H3,(H,25,26)/t19-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401092
(CHEMBL2204444)Show SMILES CCN1CCC[C@H]1CC(=O)c1ccc(cc1)C#Cc1ccc(OC)cc1 |r| Show InChI InChI=1S/C23H25NO2/c1-3-24-16-4-5-21(24)17-23(25)20-12-8-18(9-13-20)6-7-19-10-14-22(26-2)15-11-19/h8-15,21H,3-5,16-17H2,1-2H3/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50401093
(CHEMBL2204443)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C23H26N2O2/c1-18(2)24-14-16-25(17-15-24)23(26)21-10-6-19(7-11-21)4-5-20-8-12-22(27-3)13-9-20/h6-13,18H,14-17H2,1-3H3 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50401091
(CHEMBL2204436 | CHEMBL2385894)Show SMILES Clc1ccc(CN[C@H]2CCN(C2)c2ncc(Br)cn2)c(Cl)c1 |r| Show InChI InChI=1S/C15H15BrCl2N4/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18/h1-2,5,7-8,13,19H,3-4,6,9H2/t13-/m0/s1 | PDB
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| n/a | n/a | >1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of human mGlu2 expressed in AV-12 cells in presence of glutamate EC90 concentration by FLIPR assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50401091
(CHEMBL2204436 | CHEMBL2385894)Show SMILES Clc1ccc(CN[C@H]2CCN(C2)c2ncc(Br)cn2)c(Cl)c1 |r| Show InChI InChI=1S/C15H15BrCl2N4/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18/h1-2,5,7-8,13,19H,3-4,6,9H2/t13-/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Negative allosteric modulation of mGlu2 assessed as thaillium flux through GIRK channels by cell-based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50401086
(CHEMBL2204445)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441232
(CHEMBL2431173)Show InChI InChI=1S/C18H15FN2O2/c1-18(11-23-12-18)21-17(22)16-8-7-14(10-20-16)6-5-13-3-2-4-15(19)9-13/h2-4,7-10H,11-12H2,1H3,(H,21,22) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 56: 7976-96 (2013)
Article DOI: 10.1021/jm401028t BindingDB Entry DOI: 10.7270/Q2571DFR |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50401086
(CHEMBL2204445)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1 | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50441232
(CHEMBL2431173)Show InChI InChI=1S/C18H15FN2O2/c1-18(11-23-12-18)21-17(22)16-8-7-14(10-20-16)6-5-13-3-2-4-15(19)9-13/h2-4,7-10H,11-12H2,1H3,(H,21,22) | PDB MMDB
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| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 56: 7976-96 (2013)
Article DOI: 10.1021/jm401028t BindingDB Entry DOI: 10.7270/Q2571DFR |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50401086
(CHEMBL2204445)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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Similars
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50401086
(CHEMBL2204445)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50331975
(1-(4-(2-chloro-4-fluorophenyl)piperazin-1-yl)-2-(p...)Show InChI InChI=1S/C18H19ClFN3O2/c19-16-11-15(20)1-2-17(16)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2 | PDB MMDB
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Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 550 | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human mGluR5 over-expressed in HEK293 cells |
J Med Chem 56: 7976-96 (2013)
Article DOI: 10.1021/jm401028t BindingDB Entry DOI: 10.7270/Q2571DFR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50187649
((S)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-[1,2,...)Show SMILES Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1nc(no1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1 | PDB MMDB
KEGG
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| Article PubMed
| n/a | n/a | n/a | n/a | 157 | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human mGluR5 stably expressed in HEK293 cells assessed as Ca2+ flux by FLIPR assay |
J Med Chem 56: 7976-96 (2013)
Article DOI: 10.1021/jm401028t BindingDB Entry DOI: 10.7270/Q2571DFR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50156071
(3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...)Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28) | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human mGluR5 stably expressed in CHO cells assessed as Ca2+ flux by FLIPR assay |
J Med Chem 56: 7976-96 (2013)
Article DOI: 10.1021/jm401028t BindingDB Entry DOI: 10.7270/Q2571DFR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50156074
(1,2-bis(3-fluorobenzylidene)hydrazine | CHEMBL3718...)Show InChI InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+ | PDB MMDB
KEGG
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| Article PubMed
| n/a | n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Positive allosteric modulation of mGluR5 (unknown origin) |
J Med Chem 56: 7976-96 (2013)
Article DOI: 10.1021/jm401028t BindingDB Entry DOI: 10.7270/Q2571DFR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50337957
((4-hydroxypiperidin-1-yl)(4-(phenylethynyl)phenyl)...)Show InChI InChI=1S/C20H19NO2/c22-19-12-14-21(15-13-19)20(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,19,22H,12-15H2 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | n/a | n/a | 270 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Positive allosteric modulation of rat mGlu5 expressed in HEK293 cells in presence of glutamate EC20 concentration by Fluo-2AM dye based fluorescence ... |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50401086
(CHEMBL2204445)Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r| Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1 | PDB MMDB
KEGG
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Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Positive allosteric modulation of mGlu5 assessed as potentiation of glutamate-induced calcium mobilization by cell based assay |
Bioorg Med Chem Lett 22: 3921-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.112 BindingDB Entry DOI: 10.7270/Q21N828X |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50441231
(CHEMBL2431211)Show SMILES CC(C)(C)c1nnc2C[C@H](CCn12)c1nc(no1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H20FN5O/c1-18(2,3)17-22-21-14-10-12(8-9-24(14)17)16-20-15(23-25-16)11-4-6-13(19)7-5-11/h4-7,12H,8-10H2,1-3H3/t12-/m0/s1 | PDB MMDB
KEGG
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CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human mGluR5 |
J Med Chem 56: 7976-96 (2013)
Article DOI: 10.1021/jm401028t BindingDB Entry DOI: 10.7270/Q2571DFR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50441230
(CHEMBL2431212)Show InChI InChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human mGluR5 |
J Med Chem 56: 7976-96 (2013)
Article DOI: 10.1021/jm401028t BindingDB Entry DOI: 10.7270/Q2571DFR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50156070
(CHEMBL366217 | N-(4-Chloro-2-[(1,3-dioxo-1,3-dihyd...)Show SMILES Oc1ccccc1C(=O)Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C22H15ClN2O4/c23-14-9-10-18(24-20(27)17-7-3-4-8-19(17)26)13(11-14)12-25-21(28)15-5-1-2-6-16(15)22(25)29/h1-11,26H,12H2,(H,24,27) | PDB MMDB
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Vanderbilt University
Curated by ChEMBL
| Assay Description Positive allosteric modulation of human mGluR5 |
J Med Chem 56: 7976-96 (2013)
Article DOI: 10.1021/jm401028t BindingDB Entry DOI: 10.7270/Q2571DFR |
More data for this Ligand-Target Pair | |