BDBM50159170 (2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(hydroxymethyl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromen-9-yl acetate::Acetic acid (3S,4aR,4bS,6S,8R,8aS,10aR)-3-furan-3-yl-8-hydroxymethyl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthren-6-yl ester::CHEMBL425016
SMILES: CC(=O)O[C@H]1C[C@@H](CO)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
InChI Key: InChIKey=VGXFIZVZRKZEGJ-XNRHGJAWSA-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)) | BDBM50159170 ((2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(hyd...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 43.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine binding from human kappa opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 16: 5498-502 (2006) Article DOI: 10.1016/j.bmcl.2006.08.051 BindingDB Entry DOI: 10.7270/Q2QN66CC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Rattus norvegicus (rat)) | BDBM50159170 ((2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(hyd...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 347 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Melbourne Curated by PDSP Ki Database | Assay Description Inhibition of [3H]-U-69,593 binding to rat opioid receptor kappa 1 expressed in HEK 293 cells | J Med Chem 48: 345-8 (2005) Article DOI: 10.1021/jm049438q BindingDB Entry DOI: 10.7270/Q2CJ8D0J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50159170 ((2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(hyd...) | 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 | 20.7 | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Binding potency at human kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 16: 5498-502 (2006) Article DOI: 10.1016/j.bmcl.2006.08.051 BindingDB Entry DOI: 10.7270/Q2QN66CC | |||||||||||
More data for this Ligand-Target Pair |