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 12 hits for monomerid = 60212   

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

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 MOR expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

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 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

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 kappa opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

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 guinea pig brain homogenateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
University Of Bristol

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 KOR expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain homogenateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Bristol

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataKi:  6.5nMAssay Description:Displacement of [3H]Cl-DPDPE from delta receptor in guinea pig brain homogenateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

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 DOR expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

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 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataIC50:  5.40nMAssay Description:Activity at human recombinant delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S bindingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataIC50:  1.90nMAssay Description:Activity at human recombinant kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S bindingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

Curated by ChEMBL
LigandPNGBDBM60212((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Affinity DataIC50:  0.590nMAssay Description:Activity at human recombinant mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S bindingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank