Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50032744 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)) | BDBM50159165
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 160-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.046 BindingDB Entry DOI: 10.7270/Q2R49R1S |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50334060
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-((S)-2-amino...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H](N)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C26H35NO8/c1-13(2)19(27)24(31)34-17-10-16(22(29)32-5)25(3)8-6-15-23(30)35-18(14-7-9-33-12-14)11-26(15,4)21(25)20(17)28/h7,9,12-13,15-19,21H,6,8,10-11,27H2,1-5H3/t15-,16-,17-,18-,19-,21-,25-,26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 160-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.046 BindingDB Entry DOI: 10.7270/Q2R49R1S |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50334059
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-((S)-2-amino...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@H](C)N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C24H31NO8/c1-12(25)20(27)32-16-9-15(21(28)30-4)23(2)7-5-14-22(29)33-17(13-6-8-31-11-13)10-24(14,3)19(23)18(16)26/h6,8,11-12,14-17,19H,5,7,9-10,25H2,1-4H3/t12-,14-,15-,16-,17-,19-,23-,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 3.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 160-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.046 BindingDB Entry DOI: 10.7270/Q2R49R1S |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50334059
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-((S)-2-amino...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@H](C)N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C24H31NO8/c1-12(25)20(27)32-16-9-15(21(28)30-4)23(2)7-5-14-22(29)33-17(13-6-8-31-11-13)10-24(14,3)19(23)18(16)26/h6,8,11-12,14-17,19H,5,7,9-10,25H2,1-4H3/t12-,14-,15-,16-,17-,19-,23-,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]DADLE from delta opioid receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 160-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.046 BindingDB Entry DOI: 10.7270/Q2R49R1S |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50334060
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-((S)-2-amino...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H](N)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C26H35NO8/c1-13(2)19(27)24(31)34-17-10-16(22(29)32-5)25(3)8-6-15-23(30)35-18(14-7-9-33-12-14)11-26(15,4)21(25)20(17)28/h7,9,12-13,15-19,21H,6,8,10-11,27H2,1-5H3/t15-,16-,17-,18-,19-,21-,25-,26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]DADLE from delta opioid receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 160-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.046 BindingDB Entry DOI: 10.7270/Q2R49R1S |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50334060
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-((S)-2-amino...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H](N)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C26H35NO8/c1-13(2)19(27)24(31)34-17-10-16(22(29)32-5)25(3)8-6-15-23(30)35-18(14-7-9-33-12-14)11-26(15,4)21(25)20(17)28/h7,9,12-13,15-19,21H,6,8,10-11,27H2,1-5H3/t15-,16-,17-,18-,19-,21-,25-,26-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 160-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.046 BindingDB Entry DOI: 10.7270/Q2R49R1S |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50159165
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]DADLE from delta opioid receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 160-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.046 BindingDB Entry DOI: 10.7270/Q2R49R1S |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50334059
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-((S)-2-amino...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@H](C)N)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C24H31NO8/c1-12(25)20(27)32-16-9-15(21(28)30-4)23(2)7-5-14-22(29)33-17(13-6-8-31-11-13)10-24(14,3)19(23)18(16)26/h6,8,11-12,14-17,19H,5,7,9-10,25H2,1-4H3/t12-,14-,15-,16-,17-,19-,23-,24-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 160-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.046 BindingDB Entry DOI: 10.7270/Q2R49R1S |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50159165
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 160-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.046 BindingDB Entry DOI: 10.7270/Q2R49R1S |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50159165
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 160-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.046 BindingDB Entry DOI: 10.7270/Q2R49R1S |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50334060
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-((S)-2-amino...)Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H](N)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r| Show InChI InChI=1S/C26H35NO8/c1-13(2)19(27)24(31)34-17-10-16(22(29)32-5)25(3)8-6-15-23(30)35-18(14-7-9-33-12-14)11-26(15,4)21(25)20(17)28/h7,9,12-13,15-19,21H,6,8,10-11,27H2,1-5H3/t15-,16-,17-,18-,19-,21-,25-,26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 213 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 21: 160-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.046 BindingDB Entry DOI: 10.7270/Q2R49R1S |
More data for this Ligand-Target Pair | |