Found 584 hits with Last Name = 'hainzl' and Initial = 'd' 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 |
Nociceptin receptor
(Homo sapiens (Human)) | BDBM50188855
(1-phenyl-8-(1-phenyl-cyclohexyl)-1,3,8-triaza-spir...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C25H31N3O/c29-23-25(28(20-26-23)22-12-6-2-7-13-22)16-18-27(19-17-25)24(14-8-3-9-15-24)21-10-4-1-5-11-21/h1-2,4-7,10-13H,3,8-9,14-20H2,(H,26,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 4321-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325913
(2-(3-(2-chlorophenoxy)propoxy)pyrido[2,3-d]pyrimid...)Show InChI InChI=1S/C16H14ClN3O3/c17-12-6-1-2-7-13(12)22-9-4-10-23-16-19-14-11(15(21)20-16)5-3-8-18-14/h1-3,5-8H,4,9-10H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50188855
(1-phenyl-8-(1-phenyl-cyclohexyl)-1,3,8-triaza-spir...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1(CCCCC1)c1ccccc1 Show InChI InChI=1S/C25H31N3O/c29-23-25(28(20-26-23)22-12-6-2-7-13-22)16-18-27(19-17-25)24(14-8-3-9-15-24)21-10-4-1-5-11-21/h1-2,4-7,10-13H,3,8-9,14-20H2,(H,26,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells |
Bioorg Med Chem Lett 16: 4321-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325914
(2-(3-(3-chlorophenoxy)propoxy)pyrido[2,3-d]pyrimid...)Show InChI InChI=1S/C16H14ClN3O3/c17-11-4-1-5-12(10-11)22-8-3-9-23-16-19-14-13(15(21)20-16)6-2-7-18-14/h1-2,4-7,10H,3,8-9H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325924
(2-((3-chlorophenethyloxy)methyl)pyrido[2,3-d]pyrim...)Show InChI InChI=1S/C16H14ClN3O2/c17-12-4-1-3-11(9-12)6-8-22-10-14-19-15-13(16(21)20-14)5-2-7-18-15/h1-5,7,9H,6,8,10H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325908
(2-(3-phenoxypropoxy)pyrido[2,3-d]pyrimidin-4(3H)-o...)Show InChI InChI=1S/C16H15N3O3/c20-15-13-8-4-9-17-14(13)18-16(19-15)22-11-5-10-21-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2,(H,17,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50188374
(1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spir...)Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCCC1c1ccccc1 Show InChI InChI=1S/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]naloxone from human mu opioid receptor expressed in BHK cells |
Bioorg Med Chem Lett 16: 4311-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.058 BindingDB Entry DOI: 10.7270/Q2Z31Z8W |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50263360
(CHEMBL476555 | N-(2-(7-chloro-1-methyl-2-oxo-5-phe...)Show SMILES COc1ccc(CCC(=O)NCC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3C2c2ccccc2)cc1 Show InChI InChI=1S/C28H28ClN3O4/c1-31-24-14-11-21(29)16-23(24)28(20-6-4-3-5-7-20)32(18-27(31)35)26(34)17-30-25(33)15-10-19-8-12-22(36-2)13-9-19/h3-9,11-14,16,28H,10,15,17-18H2,1-2H3,(H,30,33) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human glycine transporter 1 |
Bioorg Med Chem Lett 18: 5533-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.005 BindingDB Entry DOI: 10.7270/Q2BR8S19 |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325920
(2-((2-fluorophenethyloxy)methyl)pyrido[2,3-d]pyrim...)Show InChI InChI=1S/C16H14FN3O2/c17-13-6-2-1-4-11(13)7-9-22-10-14-19-15-12(16(21)20-14)5-3-8-18-15/h1-6,8H,7,9-10H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325915
(2-(3-(4-chlorophenoxy)propoxy)pyrido[2,3-d]pyrimid...)Show InChI InChI=1S/C16H14ClN3O3/c17-11-4-6-12(7-5-11)22-9-2-10-23-16-19-14-13(15(21)20-16)3-1-8-18-14/h1,3-8H,2,9-10H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325921
(2-((3-fluorophenethyloxy)methyl)pyrido[2,3-d]pyrim...)Show InChI InChI=1S/C16H14FN3O2/c17-12-4-1-3-11(9-12)6-8-22-10-14-19-15-13(16(21)20-14)5-2-7-18-15/h1-5,7,9H,6,8,10H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325910
(2-(3-(2-fluorophenoxy)propoxy)pyrido[2,3-d]pyrimid...)Show InChI InChI=1S/C16H14FN3O3/c17-12-6-1-2-7-13(12)22-9-4-10-23-16-19-14-11(15(21)20-16)5-3-8-18-14/h1-3,5-8H,4,9-10H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325907
(2-(cinnamyloxy)pyrido[2,3-d]pyrimidin-4(3H)-one | ...)Show InChI InChI=1S/C16H13N3O2/c20-15-13-9-4-10-17-14(13)18-16(19-15)21-11-5-8-12-6-2-1-3-7-12/h1-10H,11H2,(H,17,18,19,20)/b8-5+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325911
(2-(3-(3-fluorophenoxy)propoxy)pyrido[2,3-d]pyrimid...)Show InChI InChI=1S/C16H14FN3O3/c17-11-4-1-5-12(10-11)22-8-3-9-23-16-19-14-13(15(21)20-16)6-2-7-18-14/h1-2,4-7,10H,3,8-9H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Rattus norvegicus) | BDBM50325899
(2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-on...)Show InChI InChI=1S/C8H4F3N3O/c9-8(10,11)7-13-5-4(6(15)14-7)2-1-3-12-5/h1-3H,(H,12,13,14,15) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from rat GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325927
(2-(2-m-Tolyl-ethoxymethyl)-3H-pyrido[2,3-d]pyrimid...)Show InChI InChI=1S/C17H17N3O2/c1-12-4-2-5-13(10-12)7-9-22-11-15-19-16-14(17(21)20-15)6-3-8-18-16/h2-6,8,10H,7,9,11H2,1H3,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325926
(2-(2-o-Tolyl-ethoxymethyl)-3H-pyrido[2,3-d]pyrimid...)Show InChI InChI=1S/C17H17N3O2/c1-12-5-2-3-6-13(12)8-10-22-11-15-19-16-14(17(21)20-15)7-4-9-18-16/h2-7,9H,8,10-11H2,1H3,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325916
(2-(3-(o-tolyloxy)propoxy)pyrido[2,3-d]pyrimidin-4(...)Show InChI InChI=1S/C17H17N3O3/c1-12-6-2-3-8-14(12)22-10-5-11-23-17-19-15-13(16(21)20-17)7-4-9-18-15/h2-4,6-9H,5,10-11H2,1H3,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50265098
(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Inhibition of human ERG potassium channel by patch-clamp assay |
Bioorg Med Chem Lett 18: 5134-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.086 BindingDB Entry DOI: 10.7270/Q28915PM |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50265098
(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)Show SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N Show InChI InChI=1S/C23H24FN3O4S/c1-32(29,30)18-5-7-22(31-15-16-2-3-16)19(13-18)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,2-3,8-11,15H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp assay |
J Med Chem 53: 4603-14 (2010)
Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325923
(2-((2-chlorophenethyloxy)methyl)pyrido[2,3-d]pyrim...)Show InChI InChI=1S/C16H14ClN3O2/c17-13-6-2-1-4-11(13)7-9-22-10-14-19-15-12(16(21)20-14)5-3-8-18-15/h1-6,8H,7,9-10H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325922
(2-((4-fluorophenethyloxy)methyl)pyrido[2,3-d]pyrim...)Show InChI InChI=1S/C16H14FN3O2/c17-12-5-3-11(4-6-12)7-9-22-10-14-19-15-13(16(21)20-14)2-1-8-18-15/h1-6,8H,7,9-10H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Rattus norvegicus) | BDBM50325924
(2-((3-chlorophenethyloxy)methyl)pyrido[2,3-d]pyrim...)Show InChI InChI=1S/C16H14ClN3O2/c17-12-4-1-3-11(9-12)6-8-22-10-14-19-15-13(16(21)20-14)5-2-7-18-15/h1-5,7,9H,6,8,10H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from rat GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325900
(2-((phenethyloxy)methyl)pyrido[2,3-d]pyrimidin-4(3...)Show InChI InChI=1S/C16H15N3O2/c20-16-13-7-4-9-17-15(13)18-14(19-16)11-21-10-8-12-5-2-1-3-6-12/h1-7,9H,8,10-11H2,(H,17,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50322424
(3-Fluoro-4-[4-(2-isobutoxy-5-methanesulfonyl-benzo...)Show SMILES CC(C)COc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O Show InChI InChI=1S/C23H26FN3O4S/c1-16(2)15-31-22-7-5-18(32(3,29)30)13-19(22)23(28)27-10-8-26(9-11-27)21-6-4-17(14-25)12-20(21)24/h4-7,12-13,16H,8-11,15H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp assay |
J Med Chem 53: 4603-14 (2010)
Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325896
(2-(4-phenylbutoxy)pyrido[2,3-d]pyrimidin-4(3H)-one...)Show InChI InChI=1S/C17H17N3O2/c21-16-14-10-6-11-18-15(14)19-17(20-16)22-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11H,4-5,9,12H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325917
(2-(3-(m-tolyloxy)propoxy)pyrido[2,3-d]pyrimidin-4(...)Show InChI InChI=1S/C17H17N3O3/c1-12-5-2-6-13(11-12)22-9-4-10-23-17-19-15-14(16(21)20-17)7-3-8-18-15/h2-3,5-8,11H,4,9-10H2,1H3,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325909
(CHEMBL1223958 | N-((3,4-dihydro-4-oxopyrido[2,3-d]...)Show InChI InChI=1S/C17H16N4O2/c22-15(9-8-12-5-2-1-3-6-12)19-11-14-20-16-13(17(23)21-14)7-4-10-18-16/h1-7,10H,8-9,11H2,(H,19,22)(H,18,20,21,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325912
(2-(3-(4-fluorophenoxy)propoxy)pyrido[2,3-d]pyrimid...)Show InChI InChI=1S/C16H14FN3O3/c17-11-4-6-12(7-5-11)22-9-2-10-23-16-19-14-13(15(21)20-16)3-1-8-18-14/h1,3-8H,2,9-10H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325925
(2-((4-chlorophenethyloxy)methyl)pyrido[2,3-d]pyrim...)Show InChI InChI=1S/C16H14ClN3O2/c17-12-5-3-11(4-6-12)7-9-22-10-14-19-15-13(16(21)20-14)2-1-8-18-15/h1-6,8H,7,9-10H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50322428
(CHEMBL1171498 | rac-4-{4-[5-Methanesulfonyl-2-(2,2...)Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)C#N)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C22H22F3N3O4S/c1-15(22(23,24)25)32-20-8-7-18(33(2,30)31)13-19(20)21(29)28-11-9-27(10-12-28)17-5-3-16(14-26)4-6-17/h3-8,13,15H,9-12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp assay |
J Med Chem 53: 4603-14 (2010)
Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325899
(2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-on...)Show InChI InChI=1S/C8H4F3N3O/c9-8(10,11)7-13-5-4(6(15)14-7)2-1-3-12-5/h1-3H,(H,12,13,14,15) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50188849
(4-(4-fluoro-phenyl)-8-[1-(4-fluoro-phenyl)-cyclohe...)Show SMILES Fc1ccc(cc1)C1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H30F2N2O/c27-21-8-4-19(5-9-21)23-18-29-24(31)25(23)14-16-30(17-15-25)26(12-2-1-3-13-26)20-6-10-22(28)11-7-20/h4-11,23H,1-3,12-18H2,(H,29,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Inhibition of hERG potassium channel expressed in CHO cells by whole cell patch clamp method |
Bioorg Med Chem Lett 16: 4321-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Rattus norvegicus) | BDBM50325913
(2-(3-(2-chlorophenoxy)propoxy)pyrido[2,3-d]pyrimid...)Show InChI InChI=1S/C16H14ClN3O3/c17-12-6-1-2-7-13(12)22-9-4-10-23-16-19-14-11(15(21)20-16)5-3-8-18-14/h1-3,5-8H,4,9-10H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from rat GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50188803
((S)-4-phenyl-8-((1R,2R)-2-phenyl-cyclohexyl)-2,8-d...)Show SMILES O=C1NC[C@@H](c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 Show InChI InChI=1S/C26H32N2O/c29-25-26(23(19-27-25)21-11-5-2-6-12-21)15-17-28(18-16-26)24-14-8-7-13-22(24)20-9-3-1-4-10-20/h1-6,9-12,22-24H,7-8,13-19H2,(H,27,29)/t22-,23+,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Inhibition of hERG potassium channel expressed in CHO cells by whole cell patch clamp method |
Bioorg Med Chem Lett 16: 4311-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.058 BindingDB Entry DOI: 10.7270/Q2Z31Z8W |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325930
(2-((3-methoxyphenethyloxy)methyl)pyrido[2,3-d]pyri...)Show InChI InChI=1S/C17H17N3O3/c1-22-13-5-2-4-12(10-13)7-9-23-11-15-19-16-14(17(21)20-15)6-3-8-18-16/h2-6,8,10H,7,9,11H2,1H3,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325929
(2-((2-methoxyphenethyloxy)methyl)pyrido[2,3-d]pyri...)Show InChI InChI=1S/C17H17N3O3/c1-22-14-7-3-2-5-12(14)8-10-23-11-15-19-16-13(17(21)20-15)6-4-9-18-16/h2-7,9H,8,10-11H2,1H3,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50188364
(8-[2-(4-fluoro-phenyl)-2-hydroxy-cyclohexyl]-4-phe...)Show SMILES OC1(CCCCC1N1CCC2(CC1)C(CNC2=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C26H31FN2O2/c27-21-11-9-20(10-12-21)26(31)13-5-4-8-23(26)29-16-14-25(15-17-29)22(18-28-24(25)30)19-6-2-1-3-7-19/h1-3,6-7,9-12,22-23,31H,4-5,8,13-18H2,(H,28,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Inhibition of hERG potassium channel expressed in CHO cells by whole cell patch clamp method |
Bioorg Med Chem Lett 16: 4311-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.058 BindingDB Entry DOI: 10.7270/Q2Z31Z8W |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50322426
(3-Fluoro-4-{4-[5-methanesulfonyl-2-(2,2,2-trifluor...)Show SMILES CS(=O)(=O)c1ccc(OCC(F)(F)F)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N Show InChI InChI=1S/C21H19F4N3O4S/c1-33(30,31)15-3-5-19(32-13-21(23,24)25)16(11-15)20(29)28-8-6-27(7-9-28)18-4-2-14(12-26)10-17(18)22/h2-5,10-11H,6-9,13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp assay |
J Med Chem 53: 4603-14 (2010)
Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50188376
(8-(2-hydroxy-2-phenyl-cyclohexyl)-1-phenyl-1,3,8-t...)Show SMILES OC1(CCCCC1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]naloxone from human mu opioid receptor expressed in BHK cells |
Bioorg Med Chem Lett 16: 4311-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.058 BindingDB Entry DOI: 10.7270/Q2Z31Z8W |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Rattus norvegicus) | BDBM50325922
(2-((4-fluorophenethyloxy)methyl)pyrido[2,3-d]pyrim...)Show InChI InChI=1S/C16H14FN3O2/c17-12-5-3-11(4-6-12)7-9-22-10-14-19-15-13(16(21)20-14)2-1-8-18-15/h1-6,8H,7,9-10H2,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from rat GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50188843
(8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...)Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells |
Bioorg Med Chem Lett 16: 4321-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50188843
(8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...)Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells |
Bioorg Med Chem Lett 16: 4321-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50188843
(8-(1-phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4...)Show InChI InChI=1S/C23H34N2O/c1-2-9-20-18-24-21(26)22(20)14-16-25(17-15-22)23(12-7-4-8-13-23)19-10-5-3-6-11-19/h3,5-6,10-11,20H,2,4,7-9,12-18H2,1H3,(H,24,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells |
Bioorg Med Chem Lett 16: 4321-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50322427
(CHEMBL1172999 | rac-Fluoro-4-{4-[5-methanesulfonyl...)Show SMILES CC(Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C22H21F4N3O4S/c1-14(22(24,25)26)33-20-6-4-16(34(2,31)32)12-17(20)21(30)29-9-7-28(8-10-29)19-5-3-15(13-27)11-18(19)23/h3-6,11-12,14H,7-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp assay |
J Med Chem 53: 4603-14 (2010)
Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50188879
(CHEMBL214057 | rac-8-[1-(4-fluoro-phenyl)-cyclohex...)Show SMILES CCCC1CNC(=O)C11CCN(CC1)C1(CCCCC1)c1ccc(F)cc1 Show InChI InChI=1S/C23H33FN2O/c1-2-6-19-17-25-21(27)22(19)13-15-26(16-14-22)23(11-4-3-5-12-23)18-7-9-20(24)10-8-18/h7-10,19H,2-6,11-17H2,1H3,(H,25,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells |
Bioorg Med Chem Lett 16: 4321-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50322425
(3-Fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl-benz...)Show SMILES CC(C)Oc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O Show InChI InChI=1S/C22H24FN3O4S/c1-15(2)30-21-7-5-17(31(3,28)29)13-18(21)22(27)26-10-8-25(9-11-26)20-6-4-16(14-24)12-19(20)23/h4-7,12-13,15H,8-11H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp assay |
J Med Chem 53: 4603-14 (2010)
Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50188859
(CHEMBL378665 | rac-4-(4-fluoro-phenyl)-8-(1-o-toly...)Show SMILES Cc1ccccc1C1(CCCCC1)N1CCC2(CC1)C(CNC2=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H33FN2O/c1-20-7-3-4-8-23(20)27(13-5-2-6-14-27)30-17-15-26(16-18-30)24(19-29-25(26)31)21-9-11-22(28)12-10-21/h3-4,7-12,24H,2,5-6,13-19H2,1H3,(H,29,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]naloxone from mu opioid receptor expressed in BHK cells |
Bioorg Med Chem Lett 16: 4321-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.063 BindingDB Entry DOI: 10.7270/Q2P26ZXG |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50188803
((S)-4-phenyl-8-((1R,2R)-2-phenyl-cyclohexyl)-2,8-d...)Show SMILES O=C1NC[C@@H](c2ccccc2)C11CCN(CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 Show InChI InChI=1S/C26H32N2O/c29-25-26(23(19-27-25)21-11-5-2-6-12-21)15-17-28(18-16-26)24-14-8-7-13-22(24)20-9-3-1-4-10-20/h1-6,9-12,22-24H,7-8,13-19H2,(H,27,29)/t22-,23+,24-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of [3H]naloxone from human mu opioid receptor expressed in BHK cells |
Bioorg Med Chem Lett 16: 4311-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.058 BindingDB Entry DOI: 10.7270/Q2Z31Z8W |
More data for this Ligand-Target Pair | |
Hydroxycarboxylic acid receptor 2
(Homo sapiens (Human)) | BDBM50325928
(2-(2-p-Tolyl-ethoxymethyl)-3H-pyrido[2,3-d]pyrimid...)Show InChI InChI=1S/C17H17N3O2/c1-12-4-6-13(7-5-12)8-10-22-11-15-19-16-14(17(21)20-15)3-2-9-18-16/h2-7,9H,8,10-11H2,1H3,(H,18,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human GPR109A |
Bioorg Med Chem Lett 20: 5426-30 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.108 BindingDB Entry DOI: 10.7270/Q2NV9JGF |
More data for this Ligand-Target Pair | |