Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50039612 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 |
Mu-type opioid receptor
(MOUSE) | BDBM50380909
(CHEMBL2016678)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N(CC2CC2)C1 |r,THB:25:24:22.21:14.15| Show InChI InChI=1S/C25H32N2O3/c28-18-6-5-17-11-19-25-8-7-23(29,14-27(25)13-16-3-4-16)22-24(25,20(17)21(18)30-22)9-10-26(19)12-15-1-2-15/h5-6,15-16,19,22,28-29H,1-4,7-14H2/t19-,22+,23-,24+,25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from mouse brain mu opioid receptor |
Bioorg Med Chem Lett 22: 2689-92 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.001 BindingDB Entry DOI: 10.7270/Q24X58T4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50380906
(CHEMBL2016675)Show SMILES CN1C[C@]2(O)CC[C@]11[C@H]3Cc4ccc(O)c5O[C@@H]2[C@]1(CCN3CC1CC1)c45 |r,TLB:0:1:6.5:18.17| Show InChI InChI=1S/C22H28N2O3/c1-23-12-20(26)6-7-22(23)16-10-14-4-5-15(25)18-17(14)21(22,19(20)27-18)8-9-24(16)11-13-2-3-13/h4-5,13,16,19,25-26H,2-3,6-12H2,1H3/t16-,19+,20-,21+,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from mouse brain mu opioid receptor |
Bioorg Med Chem Lett 22: 2689-92 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.001 BindingDB Entry DOI: 10.7270/Q24X58T4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50380910
(CHEMBL2016679)Show SMILES CN[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r| Show InChI InChI=1S/C21H26N2O3/c1-22-21-7-6-15(25)19-20(21)8-9-23(11-12-2-3-12)16(21)10-13-4-5-14(24)18(26-19)17(13)20/h4-5,12,16,19,22,24H,2-3,6-11H2,1H3/t16-,19+,20+,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from mouse brain mu opioid receptor |
Bioorg Med Chem Lett 22: 2689-92 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.001 BindingDB Entry DOI: 10.7270/Q24X58T4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50380905
(CHEMBL2016674)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N=C1 |r,c:30| Show InChI InChI=1S/C21H24N2O3/c24-14-4-3-13-9-15-21-6-5-19(25,11-22-21)18-20(21,16(13)17(14)26-18)7-8-23(15)10-12-1-2-12/h3-4,11-12,15,18,24-25H,1-2,5-10H2/t15-,18+,19-,20+,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from mouse brain mu opioid receptor |
Bioorg Med Chem Lett 22: 2689-92 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.001 BindingDB Entry DOI: 10.7270/Q24X58T4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50380912
(CHEMBL2016673)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35NC1 |r| Show InChI InChI=1S/C21H26N2O3/c24-14-4-3-13-9-15-21-6-5-19(25,11-22-21)18-20(21,16(13)17(14)26-18)7-8-23(15)10-12-1-2-12/h3-4,12,15,18,22,24-25H,1-2,5-11H2/t15-,18+,19-,20+,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from mouse brain mu opioid receptor |
Bioorg Med Chem Lett 22: 2689-92 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.001 BindingDB Entry DOI: 10.7270/Q24X58T4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50380904
(CHEMBL2016672)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35OC1 |r| Show InChI InChI=1S/C21H25NO4/c23-14-4-3-13-9-15-21-6-5-19(24,11-25-21)18-20(21,16(13)17(14)26-18)7-8-22(15)10-12-1-2-12/h3-4,12,15,18,23-24H,1-2,5-11H2/t15-,18+,19-,20+,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from mouse brain mu opioid receptor |
Bioorg Med Chem Lett 22: 2689-92 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.001 BindingDB Entry DOI: 10.7270/Q24X58T4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50380908
(CHEMBL2016677)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N(C1)C(=O)C1CC1 |r,THB:26:24:22.21:14.15| Show InChI InChI=1S/C25H30N2O4/c28-17-6-5-16-11-18-25-8-7-23(30,13-27(25)21(29)15-3-4-15)22-24(25,19(16)20(17)31-22)9-10-26(18)12-14-1-2-14/h5-6,14-15,18,22,28,30H,1-4,7-13H2/t18-,22+,23-,24+,25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from mouse brain mu opioid receptor |
Bioorg Med Chem Lett 22: 2689-92 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.001 BindingDB Entry DOI: 10.7270/Q24X58T4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50380907
(CHEMBL2016676)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(O)CC[C@@]35N(C1)C(=O)c1ccccc1 |r,THB:26:24:22.21:14.15| Show InChI InChI=1S/C28H30N2O4/c31-20-9-8-19-14-21-28-11-10-26(33,16-30(28)24(32)18-4-2-1-3-5-18)25-27(28,22(19)23(20)34-25)12-13-29(21)15-17-6-7-17/h1-5,8-9,17,21,25,31,33H,6-7,10-16H2/t21-,25+,26-,27+,28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| 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 |
Kitasato University
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from mouse brain mu opioid receptor |
Bioorg Med Chem Lett 22: 2689-92 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.001 BindingDB Entry DOI: 10.7270/Q24X58T4 |
More data for this Ligand-Target Pair | |