BDBM50199912 3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-octahydro-1Hpyrido[1,2-R]pyrazin-8-yl)phenol::CHEMBL218520::US8580788, 64
SMILES: C[C@H]1CN2C[C@@H](N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
InChI Key: InChIKey=KFASSAPEPBYWOW-RMVZNSSTSA-N
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)) | BDBM50199912 (3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-oct...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | 3.30 | -11.6 | 26 | n/a | n/a | n/a | n/a | 7.8 | 25 |
Adolor Corporation US Patent | Assay Description The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994). | US Patent US8580788 (2013) BindingDB Entry DOI: 10.7270/Q2N29VKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50199912 (3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-oct...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells | J Med Chem 49: 7290-306 (2006) Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50199912 (3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-oct...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | 12 | -10.8 | n/a | n/a | n/a | n/a | n/a | 7.8 | 25 |
Adolor Corporation US Patent | Assay Description The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994). | US Patent US8580788 (2013) BindingDB Entry DOI: 10.7270/Q2N29VKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50199912 (3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-oct...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells | J Med Chem 49: 7290-306 (2006) Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50199912 (3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-oct...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | 716 | -8.38 | n/a | n/a | n/a | n/a | n/a | 7.8 | 25 |
Adolor Corporation US Patent | Assay Description The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994). | US Patent US8580788 (2013) BindingDB Entry DOI: 10.7270/Q2N29VKK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50199912 (3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-oct...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human cloned delta opioid receptor expressed in CHO cells | J Med Chem 49: 7290-306 (2006) Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50199912 (3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-oct...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells | J Med Chem 49: 7290-306 (2006) Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50199912 (3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-oct...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Antagonist activity assessed as inhibition of loperamide-stimulated [35S]GTPgammaS binding to human mu opioid receptor expressed in CHO cells | J Med Chem 49: 7290-306 (2006) Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50199912 (3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-oct...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation Curated by ChEMBL | Assay Description Antagonist activity assessed as inhibition of BW373U86-stimulated [35S]GTP-gamma-S binding to human delta opioid receptor expressed in CHO cells | J Med Chem 49: 7290-306 (2006) Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 | |||||||||||
More data for this Ligand-Target Pair |