Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50271708' 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
(Cavia porcellus (domestic guinea pig)) | BDBM50271708
((2S,5R)-2,5-Dicyclohexyl-1-(4-methyl-cyclohexylmet...)Show SMILES CC1CCC(CN2[C@H](CN3[C@@H](C[NH+]=C23)C2CCCCC2)C2CCCCC2)CC1 |r,wU:10.15,wD:7.22,t:12,(10.65,-14.86,;11.71,-13.74,;11.28,-12.26,;12.34,-11.15,;13.83,-11.52,;14.89,-10.4,;14.46,-8.92,;15.39,-7.69,;14.52,-6.42,;13.05,-6.86,;11.59,-6.34,;10.65,-7.57,;11.52,-8.84,;13,-8.41,;11.15,-4.87,;12.21,-3.76,;11.77,-2.29,;10.28,-1.92,;9.21,-3.04,;9.65,-4.52,;16.93,-7.73,;17.67,-9.1,;19.2,-9.14,;20.01,-7.83,;19.28,-6.48,;17.73,-6.43,;14.28,-12.99,;13.21,-14.11,)| Show InChI InChI=1S/C25H43N3/c1-19-12-14-20(15-13-19)17-27-24(22-10-6-3-7-11-22)18-28-23(16-26-25(27)28)21-8-4-2-5-9-21/h19-24H,2-18H2,1H3/p+1/t19?,20?,23-,24+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 365 | 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
(Cavia porcellus (domestic guinea pig)) | BDBM50271708
((2S,5R)-2,5-Dicyclohexyl-1-(4-methyl-cyclohexylmet...)Show SMILES CC1CCC(CN2[C@H](CN3[C@@H](C[NH+]=C23)C2CCCCC2)C2CCCCC2)CC1 |r,wU:10.15,wD:7.22,t:12,(10.65,-14.86,;11.71,-13.74,;11.28,-12.26,;12.34,-11.15,;13.83,-11.52,;14.89,-10.4,;14.46,-8.92,;15.39,-7.69,;14.52,-6.42,;13.05,-6.86,;11.59,-6.34,;10.65,-7.57,;11.52,-8.84,;13,-8.41,;11.15,-4.87,;12.21,-3.76,;11.77,-2.29,;10.28,-1.92,;9.21,-3.04,;9.65,-4.52,;16.93,-7.73,;17.67,-9.1,;19.2,-9.14,;20.01,-7.83,;19.28,-6.48,;17.73,-6.43,;14.28,-12.99,;13.21,-14.11,)| Show InChI InChI=1S/C25H43N3/c1-19-12-14-20(15-13-19)17-27-24(22-10-6-3-7-11-22)18-28-23(16-26-25(27)28)21-8-4-2-5-9-21/h19-24H,2-18H2,1H3/p+1/t19?,20?,23-,24+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 365 | 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)) | BDBM50271708
((2S,5R)-2,5-Dicyclohexyl-1-(4-methyl-cyclohexylmet...)Show SMILES CC1CCC(CN2[C@H](CN3[C@@H](C[NH+]=C23)C2CCCCC2)C2CCCCC2)CC1 |r,wU:10.15,wD:7.22,t:12,(10.65,-14.86,;11.71,-13.74,;11.28,-12.26,;12.34,-11.15,;13.83,-11.52,;14.89,-10.4,;14.46,-8.92,;15.39,-7.69,;14.52,-6.42,;13.05,-6.86,;11.59,-6.34,;10.65,-7.57,;11.52,-8.84,;13,-8.41,;11.15,-4.87,;12.21,-3.76,;11.77,-2.29,;10.28,-1.92,;9.21,-3.04,;9.65,-4.52,;16.93,-7.73,;17.67,-9.1,;19.2,-9.14,;20.01,-7.83,;19.28,-6.48,;17.73,-6.43,;14.28,-12.99,;13.21,-14.11,)| Show InChI InChI=1S/C25H43N3/c1-19-12-14-20(15-13-19)17-27-24(22-10-6-3-7-11-22)18-28-23(16-26-25(27)28)21-8-4-2-5-9-21/h19-24H,2-18H2,1H3/p+1/t19?,20?,23-,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.14E+3 | 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 | |