BDBM50123749 (E)-(1S,2R,6R,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2,6-dihydroxy-1-(4-hydroxy-2,6-dimethyl-benzyl)-8-phenyl-oct-4-enyl-ammonium
SMILES: Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C\C=C\[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI Key: InChIKey=MWAQTMFPZSUQRQ-ZZEHBAPTSA-O
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50123749 ((E)-(1S,2R,6R,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells | J Med Chem 46: 677-80 (2003) Article DOI: 10.1021/jm025608s BindingDB Entry DOI: 10.7270/Q2959J96 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50123749 ((E)-(1S,2R,6R,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University Curated by ChEMBL | Assay Description Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation | J Med Chem 46: 677-80 (2003) Article DOI: 10.1021/jm025608s BindingDB Entry DOI: 10.7270/Q2959J96 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50123749 ((E)-(1S,2R,6R,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human Opioid receptor delta 1 epressing HEK293 cells | J Med Chem 46: 677-80 (2003) Article DOI: 10.1021/jm025608s BindingDB Entry DOI: 10.7270/Q2959J96 | |||||||||||
More data for this Ligand-Target Pair |