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 34 hits for monomerid = 60212   

TargetMu-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.260nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMu-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.260nMAssay Description:Displacement of [3H]naloxone from monocloned mu opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMu-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.260nMAssay Description:Displacement of [3H]NLX from mu opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMu-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.330nMAssay Description:The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...More data for this Ligand-Target Pair
In DepthDetails US PatentDrugBank

TargetMu-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.330nMAssay Description:The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...More data for this Ligand-Target Pair
In DepthDetails US PatentDrugBank

TargetMu-type opioid receptor(MOUSE)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.330nMAssay Description:Displacement of [3H]naloxane from mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(MOUSE)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.330nMAssay Description:Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cells after 1.5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H]naloxone from mu opioid receptor (unknown origin) after 1.5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMu-type opioid receptor(MOUSE)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.390nMAssay Description:Displacement of [3H]NLX from mouse MOR expressed in CHO cell membrane incubated for 90 mins by liquid scintillation spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.900nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.900nMAssay Description:Displacement of [3H]DPN from kappa opioid receptor (unknown origin) after 1.5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetKappa-type opioid receptor(Mus musculus (Mouse))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  1.40nMAssay Description:Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cells after 1.5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Mus musculus (Mouse))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  1.40nMAssay Description:Displacement of [3H]diprenorphine from mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  1.44nMAssay Description:The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...More data for this Ligand-Target Pair
In DepthDetails US PatentDrugBank

TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  1.44nMAssay Description:The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...More data for this Ligand-Target Pair
In DepthDetails US PatentDrugBank

TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  5.20nMAssay Description:Displacement of [3H]norBNI from kappa opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  5.20nMAssay Description:Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  95nMAssay Description:Displacement of [3H]NTI from delta opioid receptor (unknown origin) after 1.5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  96nMAssay Description:Displacement of [3H]NTI from delta opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  117nMAssay Description:Displacement of [3H]NTI from monocloned delta opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  117nMAssay Description:Displacement of [3H]NTI from delta opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  144nMAssay Description:The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...More data for this Ligand-Target Pair
In DepthDetails US PatentDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  144nMAssay Description:The competition binding assay was conducted to determine the affinity and selectivity of the synthesized compounds to MOR over KOR and DOR. The Kd an...More data for this Ligand-Target Pair
In DepthDetails US PatentDrugBank

TargetDelta-type opioid receptor(MOUSE)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  144nMAssay Description:Displacement of [3H]naltrindole from mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(MOUSE)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  144nMAssay Description:Displacement of [3H]-naltrindole from mouse delta opioid receptor expressed in CHO cells after 1.5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(MOUSE)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataEC50:  0.160nMAssay Description:Stimulation of mouse MOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Mus musculus (Mouse))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataEC50:  0.810nMAssay Description:Agonist activity at mouse KOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(MOUSE)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataEC50:  4.40nMAssay Description:Agonist activity at mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataIC50:  16nMAssay Description:Antagonist activity at human MOR expressed in CHO cells assessed as inhibition of DAMGO-induced increase in intracellular Ca2+ level incubated for 15...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetKappa-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataEC50:  0.810nMAssay Description:Agonist activity at kappa opioid receptor (unknown origin) expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding after 1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDelta-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataEC50:  4.40nMAssay Description:Agonist activity at delta opioid receptor (unknown origin) expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding after 1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMu-type opioid receptor(MOUSE)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataEC50:  0.160nMAssay Description:Agonist activity at mouse mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding after 1.5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataEC50:  0.380nMAssay Description:Agonist activity at mu opioid receptor (unknown origin) expressed CHO cells assessed as stimulation of [35S]-GTP[gammaS] bindingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetMu-type opioid receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataIC50:  2.90nMAssay Description:Antagonist activity at human MOR transfected in CHO cells co-transfected with Gqi5 assessed as inhibition of DAMGO-induced calcium mobilization incub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank