BDBM54795 (4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride::(4R,4aS,7aR,12bS)-4a,9-bis(oxidanyl)-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride::(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride::MLS000069540::NALOXONE HYDROCHLORIDE::SMR000058766::cid_5464092

SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O

InChI Key InChIKey=UZHSEJADLWPNLE-GRGSLBFTSA-N

Data  2 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 54795   

TargetMu-type opioid receptor(GUINEA PIG)
Dr. August Wolff Gmbh & Co. Kg Arzneimittel

Curated by ChEMBL
LigandPNGBDBM54795((4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7...)
Affinity DataKi:  2.30nMAssay Description:Displacement of [3H]DAMGO from mu-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Dr. August Wolff Gmbh & Co. Kg Arzneimittel

Curated by ChEMBL
LigandPNGBDBM54795((4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7...)
Affinity DataKi:  7.30nMAssay Description:Binding affinity was evaluated by measuring inhibiting the binding of [3H]nisoxetine to Norepinephrine transporter in rat brain tissueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM54795((4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM54795((4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7...)
Affinity DataIC50:  4.30nMAssay Description:Displacement of [3H] naloxone from opioid receptor (unknown origin) in presence of 100 mM NaClMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type/Kappa-type/Mu-type opioid receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM54795((4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7...)
Affinity DataIC50:  5.5nMAssay Description:Displacement of [3H] naloxone from opioid receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54795((4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7...)
Affinity DataIC50:  182nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssayDrugBank

TargetKappa-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54795((4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7...)
Affinity DataIC50:  616nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssayDrugBank

TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM54795((4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7...)
Affinity DataIC50: >1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed