Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50272035' 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)) | BDBM50272035
((2S,5R)-5-cyclohexyl-2-[(4-methoxyphenyl)methyl]-1...)Show SMILES COc1ccc(CC2C[N+]3=C(NCC3C3CCCCC3)N2CC2CCC(C)CC2)cc1 |t:9,(20.14,3.61,;18.6,3.65,;17.79,2.33,;18.53,.98,;17.73,-.34,;16.19,-.29,;15.39,-1.6,;13.85,-1.57,;12.97,-.3,;11.5,-.73,;11.45,-2.28,;9.98,-2.71,;9.1,-1.45,;10.04,-.21,;9.61,1.26,;10.66,2.37,;10.23,3.85,;8.73,4.21,;7.67,3.09,;8.1,1.61,;12.91,-2.79,;13.35,-4.27,;12.29,-5.39,;10.8,-5.03,;9.74,-6.14,;10.17,-7.62,;9.11,-8.74,;11.67,-7.98,;12.74,-6.87,;15.45,1.05,;16.25,2.36,)| Show InChI InChI=1S/C27H41N3O/c1-20-8-10-22(11-9-20)18-29-24(16-21-12-14-25(31-2)15-13-21)19-30-26(17-28-27(29)30)23-6-4-3-5-7-23/h12-15,20,22-24,26H,3-11,16-19H2,1-2H3/p+1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 804 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description Inhibitory activity for kappa opioid receptor |
J Med Chem 42: 3743-78 (1999)
BindingDB Entry DOI: 10.7270/Q22Z167W |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50272035
((2S,5R)-5-cyclohexyl-2-[(4-methoxyphenyl)methyl]-1...)Show SMILES COc1ccc(CC2C[N+]3=C(NCC3C3CCCCC3)N2CC2CCC(C)CC2)cc1 |t:9,(20.14,3.61,;18.6,3.65,;17.79,2.33,;18.53,.98,;17.73,-.34,;16.19,-.29,;15.39,-1.6,;13.85,-1.57,;12.97,-.3,;11.5,-.73,;11.45,-2.28,;9.98,-2.71,;9.1,-1.45,;10.04,-.21,;9.61,1.26,;10.66,2.37,;10.23,3.85,;8.73,4.21,;7.67,3.09,;8.1,1.61,;12.91,-2.79,;13.35,-4.27,;12.29,-5.39,;10.8,-5.03,;9.74,-6.14,;10.17,-7.62,;9.11,-8.74,;11.67,-7.98,;12.74,-6.87,;15.45,1.05,;16.25,2.36,)| Show InChI InChI=1S/C27H41N3O/c1-20-8-10-22(11-9-20)18-29-24(16-21-12-14-25(31-2)15-13-21)19-30-26(17-28-27(29)30)23-6-4-3-5-7-23/h12-15,20,22-24,26H,3-11,16-19H2,1-2H3/p+1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 804 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain homogenate |
Bioorg Med Chem 16: 5932-8 (2008)
Article DOI: 10.1016/j.bmc.2008.04.061 BindingDB Entry DOI: 10.7270/Q2BG2PW7 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50272035
((2S,5R)-5-cyclohexyl-2-[(4-methoxyphenyl)methyl]-1...)Show SMILES COc1ccc(CC2C[N+]3=C(NCC3C3CCCCC3)N2CC2CCC(C)CC2)cc1 |t:9,(20.14,3.61,;18.6,3.65,;17.79,2.33,;18.53,.98,;17.73,-.34,;16.19,-.29,;15.39,-1.6,;13.85,-1.57,;12.97,-.3,;11.5,-.73,;11.45,-2.28,;9.98,-2.71,;9.1,-1.45,;10.04,-.21,;9.61,1.26,;10.66,2.37,;10.23,3.85,;8.73,4.21,;7.67,3.09,;8.1,1.61,;12.91,-2.79,;13.35,-4.27,;12.29,-5.39,;10.8,-5.03,;9.74,-6.14,;10.17,-7.62,;9.11,-8.74,;11.67,-7.98,;12.74,-6.87,;15.45,1.05,;16.25,2.36,)| Show InChI InChI=1S/C27H41N3O/c1-20-8-10-22(11-9-20)18-29-24(16-21-12-14-25(31-2)15-13-21)19-30-26(17-28-27(29)30)23-6-4-3-5-7-23/h12-15,20,22-24,26H,3-11,16-19H2,1-2H3/p+1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description Inhibition of Opioid receptor kappa 1 binding |
J Med Chem 42: 3743-78 (1999)
BindingDB Entry DOI: 10.7270/Q22Z167W |
More data for this Ligand-Target Pair | |