Found 3 hits for monomerid = 50174954 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)) | BDBM50174954
((S)-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
| 99 | 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)) | BDBM50174954
((S)-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)) | BDBM50174954
((S)-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 | >1.00E+4 | 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 | |
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