null
SMILES: COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1Br
InChI Key: InChIKey=LPLNKDACKRUXCO-WTRWFAFPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50216132 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McLean Hospital Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human KOPR expressed in CHO cells | Bioorg Med Chem 17: 1370-80 (2009) Article DOI: 10.1016/j.bmc.2008.12.012 BindingDB Entry DOI: 10.7270/Q25H7G4K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50216132 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa Curated by ChEMBL | Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells | J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50216132 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McLean Hospital Curated by ChEMBL | Assay Description Binding affinity to mouse DOPR expressed in CHO cells | Bioorg Med Chem 17: 1370-80 (2009) Article DOI: 10.1016/j.bmc.2008.12.012 BindingDB Entry DOI: 10.7270/Q25H7G4K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50216132 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McLean Hospital Curated by ChEMBL | Assay Description Binding affinity to rat MOPR expressed in CHO cells | Bioorg Med Chem 17: 1370-80 (2009) Article DOI: 10.1016/j.bmc.2008.12.012 BindingDB Entry DOI: 10.7270/Q25H7G4K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50216132 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa Curated by ChEMBL | Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay | J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50216132 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Iowa Curated by ChEMBL | Assay Description Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cells | J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50216132 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
The University of Iowa Curated by ChEMBL | Assay Description Antagonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay | J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50216132 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
McLean Hospital Curated by ChEMBL | Assay Description Agonist activity at human KOPR expressed in CHO cells assessed as enhancenment of [35S]GTPgammaS binding | Bioorg Med Chem 17: 1370-80 (2009) Article DOI: 10.1016/j.bmc.2008.12.012 BindingDB Entry DOI: 10.7270/Q25H7G4K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50216132 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a |
The University of Kansas Curated by ChEMBL | Assay Description Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assa... | J Med Chem 57: 10464-75 (2014) Article DOI: 10.1021/jm501521d BindingDB Entry DOI: 10.7270/Q2J38V6P | |||||||||||
More data for this Ligand-Target Pair |