BDBM50189148 (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(Acetylamino)-2-(3-furanyl)-dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester::(2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetamido-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromene-7-carboxylate::CHEMBL213155
SMILES: COC(=O)[C@@H]1C[C@H](NC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
InChI Key: InChIKey=WBBOTIMHGGUERU-AGQYDFLVSA-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)) | BDBM50189148 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(Acetylamino)-2-(3-...) | PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 30 | 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 Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay | J Med Chem 51: 2421-31 (2008) Article DOI: 10.1021/jm701162g BindingDB Entry DOI: 10.7270/Q2DV1KR7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50189148 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(Acetylamino)-2-(3-...) | PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McLean Hospital Curated by ChEMBL | Assay Description Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells | Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50189148 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(Acetylamino)-2-(3-...) | PDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.18E+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 recombinant mu opioid receptor expressed in CHO cells | J Med Chem 51: 2421-31 (2008) Article DOI: 10.1021/jm701162g BindingDB Entry DOI: 10.7270/Q2DV1KR7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50189148 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(Acetylamino)-2-(3-...) | PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | 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 recombinant delta opioid receptor expressed in CHO cells | J Med Chem 51: 2421-31 (2008) Article DOI: 10.1021/jm701162g BindingDB Entry DOI: 10.7270/Q2DV1KR7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50189148 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(Acetylamino)-2-(3-...) | PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 188 | n/a | n/a | n/a | n/a |
McLean Hospital Curated by ChEMBL | Assay Description Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells | Bioorg Med Chem Lett 16: 4679-85 (2006) Article DOI: 10.1016/j.bmcl.2006.05.093 BindingDB Entry DOI: 10.7270/Q2GX4B55 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50189148 ((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(Acetylamino)-2-(3-...) | PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
The University of Iowa Curated by ChEMBL | Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay | J Med Chem 51: 2421-31 (2008) Article DOI: 10.1021/jm701162g BindingDB Entry DOI: 10.7270/Q2DV1KR7 | |||||||||||
More data for this Ligand-Target Pair |