BDBM60212 (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(oxidanyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride::(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride::MLS000069607::NALTREXONE HYDROCHLORIDE::SMR000058767::US10988481, Compound NTX::US9107954, naltrexone::cid_5485201

SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O

InChI Key InChIKey=DQCKKXVULJGBQN-XFWGSAIBSA-N

Data  190 KI  48 IC50  18 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 60212   

TargetMu-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.200nMAssay Description:Inhibition of [3H]DAMGO binding to human Mu opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMu-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMu-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]DAMGO from human cloned mu opioid receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMu-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMu-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.200nMAssay Description:Binding affinity for human Opioid receptor mu 1 transfected into chinese hamster ovary cells by displacing [3H]DAMGO radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMu-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetKappa-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetKappa-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.400nMAssay Description:Inhibition of [3H]U-69593 binding to human kappa opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetKappa-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.400nMAssay Description:Binding affinity in recombinant human Opioid receptor kappa 1 transfected into chinese hamster ovary cells by displacing [3H]U-69593 radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMu-type opioid receptor(GUINEA PIG)
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in Hartely guinea pig brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetKappa-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]U-69593 from human cloned kappa opioid receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetKappa-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]U69,593 from kappa opioid receptor in Hartely guinea pig brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  11nMAssay Description:Binding affinity for human Opioid receptor delta 1 transfected into chinese hamster ovary cells by displacing [3H]CI-DPDPE radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  11nMAssay Description:Inhibition of [3H]C1-DPDPE binding to human delta opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]DPDPE from human cloned delta opioid receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataEC50:  5.40nMAssay Description:Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetKappa-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataEC50:  1.90nMAssay Description:Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMu-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataEC50:  0.590nMAssay Description:Stimulation of DAMGO binding in recombinant human Opioid receptor mu 1 transfected into CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMu-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataEC50:  0.590nMAssay Description:Effective concentration agonistic activity towards Opioid receptor mu 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataEC50:  5.40nMAssay Description:Agonistic activity towards Opioid receptor delta 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetKappa-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataEC50:  1.90nMAssay Description:Agonistic activity towards Opioid receptor kappa 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataEC50:  5.40nMAssay Description:Agonist activity at human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank