Found 8 hits of Enzyme Inhibition Constant Data 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
(Rattus norvegicus (rat)) | 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 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]U69,593 from rat cloned KOR |
Bioorg Med Chem Lett 17: 2229-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.100 BindingDB Entry DOI: 10.7270/Q2MC8ZPK |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50205442
(2-thiosalvinorin B | CHEMBL231536)Show SMILES COC(=O)[C@@H]1C[C@H](S)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C21H26O6S/c1-20-6-4-12-19(24)27-14(11-5-7-26-10-11)9-21(12,2)17(20)16(22)15(28)8-13(20)18(23)25-3/h5,7,10,12-15,17,28H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 54.5 | 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]U69,593 from rat cloned KOR |
Bioorg Med Chem Lett 17: 2229-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.100 BindingDB Entry DOI: 10.7270/Q2MC8ZPK |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50205443
(2-epi-2-thiosalvinorin A | CHEMBL231537)Show SMILES COC(=O)[C@@H]1C[C@@H](SC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C23H28O7S/c1-12(24)31-17-9-15(20(26)28-4)22(2)7-5-14-21(27)30-16(13-6-8-29-11-13)10-23(14,3)19(22)18(17)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 GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 151 | 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]U69,593 from rat cloned KOR |
Bioorg Med Chem Lett 17: 2229-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.100 BindingDB Entry DOI: 10.7270/Q2MC8ZPK |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50205444
(2-epi-2-thiosalvinorin B | CHEMBL231638)Show SMILES COC(=O)[C@@H]1C[C@@H](S)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C21H26O6S/c1-20-6-4-12-19(24)27-14(11-5-7-26-10-11)9-21(12,2)17(20)16(22)15(28)8-13(20)18(23)25-3/h5,7,10,12-15,17,28H,4,6,8-9H2,1-3H3/t12-,13-,14-,15+,17-,20-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 546 | 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]U69,593 from rat cloned KOR |
Bioorg Med Chem Lett 17: 2229-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.100 BindingDB Entry DOI: 10.7270/Q2MC8ZPK |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50205444
(2-epi-2-thiosalvinorin B | CHEMBL231638)Show SMILES COC(=O)[C@@H]1C[C@@H](S)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C21H26O6S/c1-20-6-4-12-19(24)27-14(11-5-7-26-10-11)9-21(12,2)17(20)16(22)15(28)8-13(20)18(23)25-3/h5,7,10,12-15,17,28H,4,6,8-9H2,1-3H3/t12-,13-,14-,15+,17-,20-,21-/m0/s1 | 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 | n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Activity at human kappa opioid receptor expressed in HEK293 cells as intracellular calcium mobilization |
Bioorg Med Chem Lett 17: 2229-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.100 BindingDB Entry DOI: 10.7270/Q2MC8ZPK |
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 | 2.82 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Activity at human kappa opioid receptor expressed in HEK293 cells as intracellular calcium mobilization |
Bioorg Med Chem Lett 17: 2229-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.100 BindingDB Entry DOI: 10.7270/Q2MC8ZPK |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50205442
(2-thiosalvinorin B | CHEMBL231536)Show SMILES COC(=O)[C@@H]1C[C@H](S)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C21H26O6S/c1-20-6-4-12-19(24)27-14(11-5-7-26-10-11)9-21(12,2)17(20)16(22)15(28)8-13(20)18(23)25-3/h5,7,10,12-15,17,28H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 287 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Activity at human kappa opioid receptor expressed in HEK293 cells as intracellular calcium mobilization |
Bioorg Med Chem Lett 17: 2229-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.100 BindingDB Entry DOI: 10.7270/Q2MC8ZPK |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50205443
(2-epi-2-thiosalvinorin A | CHEMBL231537)Show SMILES COC(=O)[C@@H]1C[C@@H](SC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C23H28O7S/c1-12(24)31-17-9-15(20(26)28-4)22(2)7-5-14-21(27)30-16(13-6-8-29-11-13)10-23(14,3)19(22)18(17)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
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 123 | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Activity at human kappa opioid receptor expressed in HEK293 cells as intracellular calcium mobilization |
Bioorg Med Chem Lett 17: 2229-32 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.100 BindingDB Entry DOI: 10.7270/Q2MC8ZPK |
More data for this Ligand-Target Pair | |