Found 2833 hits with Last Name = 'verhoest' and Initial = 'pr' 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 |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350987
 (CHEMBL1818233)Show SMILES CC1(O)CCN(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC2)CC1 Show InChI InChI=1S/C23H30N2O3S/c1-23(26)12-16-24(17-13-23)18-19-8-10-20(11-9-19)21-6-2-3-7-22(21)29(27,28)25-14-4-5-15-25/h2-3,6-11,26H,4-5,12-18H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM82551
 (C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448144
 (CHEMBL3122212)Show InChI InChI=1S/C18H16N6O/c1-12-6-8-19-9-14(12)16-17-18(24(2)23-16)22-15(10-21-17)25-11-13-5-3-4-7-20-13/h3-10H,11H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240887
 (CHEMBL4066731)Show SMILES Clc1cccc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)c1 Show InChI InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350958
 (CHEMBL1818236)Show SMILES OCCC1CCN(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC[C@H]2CO)CC1 Show InChI InChI=1S/C26H36N2O4S/c29-18-14-21-12-16-27(17-13-21)19-22-8-10-23(11-9-22)25-6-1-2-7-26(25)33(31,32)28-15-4-3-5-24(28)20-30/h1-2,6-11,21,24,29-30H,3-5,12-20H2/t24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| 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 |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350976
 (CHEMBL1818341)Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Agonist activity at human kappa opioid receptor by GTPgamma S binding assay |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448157
 (CHEMBL3122215)Show InChI InChI=1S/C18H15ClN6O/c1-11-13(7-20-8-14(11)19)16-17-18(25(2)24-16)23-15(9-22-17)26-10-12-5-3-4-6-21-12/h3-9H,10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240900
 (CHEMBL4091620)Show SMILES CC(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12 Show InChI InChI=1S/C19H21N3O3/c1-13(2)6-16-11-24-12-17-21-18(8-19(23)22(16)17)25-10-15-5-3-4-14(7-15)9-20/h3-5,7-8,13,16H,6,10-12H2,1-2H3/t16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| 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 |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50432208
 (CHEMBL2347110)Show InChI InChI=1S/C17H18N2O3/c1-22-16-10-15-12(9-14(18)17(20)19(15)21)8-13(16)7-11-5-3-2-4-6-11/h2-6,8,10,14,21H,7,9,18H2,1H3/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| 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 |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis |
Bioorg Med Chem Lett 23: 1961-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.039 BindingDB Entry DOI: 10.7270/Q2N87C48 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50350990
 (CHEMBL1818334)Show InChI InChI=1S/C18H27NO/c1-14(2)11-18(16-4-3-5-17(20)10-16)8-9-19(13-18)12-15-6-7-15/h3-5,10,14-15,20H,6-9,11-13H2,1-2H3/t18-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Agonist activity at human mu opioid receptor by GTPgamma S binding assay |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50426340
 (CHEMBL2321943)Show InChI InChI=1S/C16H16N2O4/c1-21-14-9-13-10(7-12(17)16(19)18(13)20)8-15(14)22-11-5-3-2-4-6-11/h2-6,8-9,12,20H,7,17H2,1H3/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350956
 (CHEMBL1818234)Show SMILES O=S(=O)(N1CCCC1)c1ccccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)cc1 Show InChI InChI=1S/C24H30N2O2S/c27-29(28,26-14-3-4-15-26)24-9-2-1-8-23(24)21-12-10-19(11-13-21)17-25-18-20-6-5-7-22(25)16-20/h1-2,8-13,20,22H,3-7,14-18H2/t20-,22+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| 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 |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM107730
 (CHEMBL2347108 | US8933095, 14)Show InChI InChI=1S/C12H12N4O2/c13-10-6-8-7-15(9-4-2-1-3-5-9)14-11(8)16(18)12(10)17/h1-5,7,10,18H,6,13H2/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of human KAT2 using L-kynurenine as substrate after 15 to 20 hrs by UV-visible spectra analysis |
Bioorg Med Chem Lett 23: 1961-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.039 BindingDB Entry DOI: 10.7270/Q2N87C48 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350983
 (CHEMBL1818330)Show SMILES COC1CCN(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC2)CC1 Show InChI InChI=1S/C23H30N2O3S/c1-28-21-12-16-24(17-13-21)18-19-8-10-20(11-9-19)22-6-2-3-7-23(22)29(26,27)25-14-4-5-15-25/h2-3,6-11,21H,4-5,12-18H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| 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 |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448161
 (CHEMBL3122210)Show InChI InChI=1S/C17H14N6O/c1-23-17-16(15(22-23)12-5-4-7-18-9-12)20-10-14(21-17)24-11-13-6-2-3-8-19-13/h2-10H,11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350990
 (CHEMBL1818334)Show InChI InChI=1S/C18H27NO/c1-14(2)11-18(16-4-3-5-17(20)10-16)8-9-19(13-18)12-15-6-7-15/h3-5,10,14-15,20H,6-9,11-13H2,1-2H3/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| 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 |
Pfizer Inc
Curated by ChEMBL
| Assay Description Agonist activity at human kappa opioid receptor by GTPgamma S binding assay |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350985
 (CHEMBL1818332)Show SMILES CC1(CNCc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC2)COC1 Show InChI InChI=1S/C22H28N2O3S/c1-22(16-27-17-22)15-23-14-18-8-10-19(11-9-18)20-6-2-3-7-21(20)28(25,26)24-12-4-5-13-24/h2-3,6-11,23H,4-5,12-17H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448159
 (CHEMBL3122213)Show SMILES Cn1nc(-c2cnccc2C(F)(F)F)c2ncc(OCc3ccccn3)nc12 Show InChI InChI=1S/C18H13F3N6O/c1-27-17-16(15(26-27)12-8-22-7-5-13(12)18(19,20)21)24-9-14(25-17)28-10-11-4-2-3-6-23-11/h2-9H,10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350976
 (CHEMBL1818341)Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
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 |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240888
 (CHEMBL4094256)Show SMILES Clc1cccc(COc2cc(=O)n3[C@@H](Cc4ccccc4)COCc3n2)c1 Show InChI InChI=1S/C21H19ClN2O3/c22-17-8-4-7-16(9-17)12-27-20-11-21(25)24-18(13-26-14-19(24)23-20)10-15-5-2-1-3-6-15/h1-9,11,18H,10,12-14H2/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240881
 (CHEMBL4090712)Show SMILES CC(C)(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12 Show InChI InChI=1S/C20H23N3O3/c1-20(2,3)9-16-12-25-13-17-22-18(8-19(24)23(16)17)26-11-15-6-4-5-14(7-15)10-21/h4-8,16H,9,11-13H2,1-3H3/t16-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| 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 |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350973
 (CHEMBL1818337)Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCOC[C@H]1C Show InChI InChI=1S/C22H30N2O3S/c1-17(2)14-23-15-19-8-10-20(11-9-19)21-6-4-5-7-22(21)28(25,26)24-12-13-27-16-18(24)3/h4-11,17-18,23H,12-16H2,1-3H3/t18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| 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 |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350957
 (CHEMBL1818235)Show SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)cc1 Show InChI InChI=1S/C26H34N2O3S/c1-31-19-24-8-5-15-28(24)32(29,30)26-10-3-2-9-25(26)22-13-11-20(12-14-22)17-27-18-21-6-4-7-23(27)16-21/h2-3,9-14,21,23-24H,4-8,15-19H2,1H3/t21-,23+,24+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240885
 (CHEMBL4064010)Show SMILES O=c1cc(OCc2cccc(c2)C#N)nc2COC[C@@H](Cc3ccccc3)n12 Show InChI InChI=1S/C22H19N3O3/c23-12-17-7-4-8-18(9-17)13-28-21-11-22(26)25-19(14-27-15-20(25)24-21)10-16-5-2-1-3-6-16/h1-9,11,19H,10,13-15H2/t19-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240890
 (CHEMBL4078647)Show SMILES Clc1cccc(COc2cc(=O)n3cc(Oc4cccnc4)ccc3n2)c1 Show InChI InChI=1S/C20H14ClN3O3/c21-15-4-1-3-14(9-15)13-26-19-10-20(25)24-12-17(6-7-18(24)23-19)27-16-5-2-8-22-11-16/h1-12H,13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this Ligand-Target Pair | |
Phosphodiesterase 2A
(Rattus norvegicus) | BDBM107767
 (US8598155, 2)Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1 Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
| 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 |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of radiolabeled 4-(azetidin-1-yl)-3-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-1-(tritritiomethyl)pyrazolo[3,4-d]pyrimidine from PD... |
J Med Chem 61: 1001-1018 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01466 BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350972
 (CHEMBL1818336)Show SMILES CO[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(CNCC(C)C)cc1 Show InChI InChI=1S/C22H30N2O3S/c1-17(2)15-23-16-18-10-12-19(13-11-18)20-7-4-5-8-21(20)28(25,26)24-14-6-9-22(24)27-3/h4-5,7-8,10-13,17,22-23H,6,9,14-16H2,1-3H3/t22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448149
 (CHEMBL3122224)Show InChI InChI=1S/C18H21N5O2/c1-4-23(5-2)18(24)16-14-9-10-15(20-17(14)22(3)21-16)25-12-13-8-6-7-11-19-13/h6-11H,4-5,12H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| 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 |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448163
 (CHEMBL3122208)Show InChI InChI=1S/C18H15N5O/c1-23-18-14(17(22-23)15-7-3-5-11-20-15)8-9-16(21-18)24-12-13-6-2-4-10-19-13/h2-11H,12H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240884
 (CHEMBL4085572)Show SMILES Cc1csc(COc2cc(=O)n3[C@H](Cc4ccccc4)COCc3n2)n1 Show InChI InChI=1S/C19H19N3O3S/c1-13-12-26-18(20-13)11-25-17-8-19(23)22-15(9-24-10-16(22)21-17)7-14-5-3-2-4-6-14/h2-6,8,12,15H,7,9-11H2,1H3/t15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350984
 (CHEMBL1818331)Show SMILES CN(C)CCNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C21H29N3O2S/c1-23(2)16-13-22-17-18-9-11-19(12-10-18)20-7-3-4-8-21(20)27(25,26)24-14-5-6-15-24/h3-4,7-12,22H,5-6,13-17H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240882
 (CHEMBL4063837)Show SMILES CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n12 Show InChI InChI=1S/C18H23N3O3/c1-18(2,3)9-14-11-23-12-15-20-16(8-17(22)21(14)15)24-10-13-6-4-5-7-19-13/h4-8,14H,9-12H2,1-3H3/t14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448162
 (CHEMBL3122209)Show InChI InChI=1S/C18H15N5O/c1-23-18-15(17(22-23)13-5-4-9-19-11-13)7-8-16(21-18)24-12-14-6-2-3-10-20-14/h2-11H,12H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448158
 (CHEMBL3122214)Show SMILES Cn1nc(-c2ncccc2OC(F)F)c2ncc(OCc3ccccn3)nc12 Show InChI InChI=1S/C18H14F2N6O2/c1-26-17-16(15(25-26)14-12(28-18(19)20)6-4-8-22-14)23-9-13(24-17)27-10-11-5-2-3-7-21-11/h2-9,18H,10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448150
 (CHEMBL3122225)Show SMILES C[C@@H]1CCCN1C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12 Show InChI InChI=1S/C19H21N5O2/c1-13-6-5-11-24(13)19(25)17-15-8-9-16(21-18(15)23(2)22-17)26-12-14-7-3-4-10-20-14/h3-4,7-10,13H,5-6,11-12H2,1-2H3/t13-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240879
 (CHEMBL4089073)Show InChI InChI=1S/C15H11ClN2O2/c16-12-5-3-4-11(8-12)10-20-14-9-15(19)18-7-2-1-6-13(18)17-14/h1-9H,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448154
 (CHEMBL3122218)Show InChI InChI=1S/C19H18N6O/c1-3-25-19-18(17(24-25)15-10-20-9-7-13(15)2)22-11-16(23-19)26-12-14-6-4-5-8-21-14/h4-11H,3,12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50426341
 (CHEMBL2321944)Show InChI InChI=1S/C15H14N2O3/c16-13-9-10-8-12(20-11-4-2-1-3-5-11)6-7-14(10)17(19)15(13)18/h1-8,13,19H,9,16H2/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350974
 (CHEMBL1818339)Show SMILES CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CNC2CCCC2)cc1 Show InChI InChI=1S/C22H30N2O2S/c1-17(2)24(3)27(25,26)22-11-7-6-10-21(22)19-14-12-18(13-15-19)16-23-20-8-4-5-9-20/h6-7,10-15,17,20,23H,4-5,8-9,16H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50386310
 (CHEMBL2049092)Show InChI InChI=1S/C10H12N2O3/c1-15-7-3-2-6-4-8(11)10(13)12(14)9(6)5-7/h2-3,5,8,14H,4,11H2,1H3/t8-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Irreversible inhibition of human KAT2 using L-kynurenine as substrate measured every 5 mins over 16 hrs by SpectraMax plate reader analysis |
ACS Med Chem Lett 4: 37-40 (2013)
Article DOI: 10.1021/ml300237v BindingDB Entry DOI: 10.7270/Q2KH0PNV |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448148
 (CHEMBL3122223)Show SMILES CCN(CC)C(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12 Show InChI InChI=1S/C19H23N5O2/c1-5-24(6-2)19(25)17-15-10-11-16(21-18(15)23(4)22-17)26-12-14-9-7-8-13(3)20-14/h7-11H,5-6,12H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448155
 (CHEMBL3122217)Show InChI InChI=1S/C17H17N7O/c1-11-13(8-20-23(11)2)15-16-17(24(3)22-15)21-14(9-19-16)25-10-12-6-4-5-7-18-12/h4-9H,10H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350971
 (CHEMBL1818232)Show SMILES CC(C)(C)CCNCc1ccc(cc1)-c1cccnc1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C22H31N3O2S/c1-22(2,3)12-14-23-17-18-8-10-19(11-9-18)20-7-6-13-24-21(20)28(26,27)25-15-4-5-16-25/h6-11,13,23H,4-5,12,14-17H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350982
 (CHEMBL1818329)Show SMILES COC[C@H](C)NCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C21H28N2O3S/c1-17(16-26-2)22-15-18-9-11-19(12-10-18)20-7-3-4-8-21(20)27(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3/t17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350961
 (CHEMBL1818325)Show SMILES OCCC1CCN(Cc2ccc(cc2F)-c2ccccc2S(=O)(=O)N2CCCCC2)CC1 Show InChI InChI=1S/C25H33FN2O3S/c26-24-18-21(8-9-22(24)19-27-15-10-20(11-16-27)12-17-29)23-6-2-3-7-25(23)32(30,31)28-13-4-1-5-14-28/h2-3,6-9,18,20,29H,1,4-5,10-17,19H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350991
 (CHEMBL1818335)Show SMILES O[C@@H]1Cc2ccccc2[C@@H]1NCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C27H30N2O3S/c30-25-18-22-8-2-3-10-24(22)27(25)28-19-20-12-14-21(15-13-20)23-9-4-5-11-26(23)33(31,32)29-16-6-1-7-17-29/h2-5,8-15,25,27-28,30H,1,6-7,16-19H2/t25-,27+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Agonist activity at human kappa opioid receptor by GTPgamma S binding assay |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240889
 (CHEMBL4086495)Show InChI InChI=1S/C15H15ClN2O2/c16-12-5-3-4-11(8-12)10-20-14-9-15(19)18-7-2-1-6-13(18)17-14/h3-5,8-9H,1-2,6-7,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350960
 (CHEMBL1818324)Show SMILES CC(C)CNCc1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCOC[C@H]1C Show InChI InChI=1S/C22H29FN2O3S/c1-16(2)13-24-14-19-9-8-18(12-21(19)23)20-6-4-5-7-22(20)29(26,27)25-10-11-28-15-17(25)3/h4-9,12,16-17,24H,10-11,13-15H2,1-3H3/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting |
J Med Chem 54: 5868-77 (2011)
Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50448153
 (CHEMBL3122219)Show InChI InChI=1S/C20H18N6O/c1-13-7-9-21-10-16(13)18-19-20(26(25-18)15-5-6-15)24-17(11-23-19)27-12-14-4-2-3-8-22-14/h2-4,7-11,15H,5-6,12H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis |
J Med Chem 57: 861-77 (2014)
Article DOI: 10.1021/jm401622k BindingDB Entry DOI: 10.7270/Q27P90WR |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50240894
 (CHEMBL4101988)Show SMILES O=c1cc(OCc2ccccn2)nc2COC[C@@H](Cc3ccccc3)n12 Show InChI InChI=1S/C20H19N3O3/c24-20-11-19(26-12-16-8-4-5-9-21-16)22-18-14-25-13-17(23(18)20)10-15-6-2-1-3-7-15/h1-9,11,17H,10,12-14H2/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting |
J Med Chem 60: 7764-7780 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8 |
More data for this Ligand-Target Pair | |