Found 3 hits for monomerid = 50174968 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50174968
((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1CCc2cc(CNS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C25H33N3O5S/c1-27(22(19-6-4-3-5-7-19)17-28-13-12-21(29)16-28)25(30)24-11-9-20-14-18(8-10-23(20)33-24)15-26-34(2,31)32/h3-8,10,14,21-22,24,26,29H,9,11-13,15-17H2,1-2H3/t21-,22+,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Agonistic activity at kappa opioid receptor |
Bioorg Med Chem Lett 15: 5114-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50174968
((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1CCc2cc(CNS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C25H33N3O5S/c1-27(22(19-6-4-3-5-7-19)17-28-13-12-21(29)16-28)25(30)24-11-9-20-14-18(8-10-23(20)33-24)15-26-34(2,31)32/h3-8,10,14,21-22,24,26,29H,9,11-13,15-17H2,1-2H3/t21-,22+,24+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Agonistic activity at mu opioid receptor |
Bioorg Med Chem Lett 15: 5114-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50174968
((R)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)[C@H]1CCc2cc(CNS(C)(=O)=O)ccc2O1 Show InChI InChI=1S/C25H33N3O5S/c1-27(22(19-6-4-3-5-7-19)17-28-13-12-21(29)16-28)25(30)24-11-9-20-14-18(8-10-23(20)33-24)15-26-34(2,31)32/h3-8,10,14,21-22,24,26,29H,9,11-13,15-17H2,1-2H3/t21-,22+,24+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Inhibitory activity against CYP2D6 |
Bioorg Med Chem Lett 15: 5114-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.094 BindingDB Entry DOI: 10.7270/Q23F4P6H |
More data for this Ligand-Target Pair | |