BDBM50000091 (6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one::(6S,11R)-3-Cyclopropylmethyl-9-hydroxy-6,11-dimethyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one::3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one::3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one (ethylketocyclazocine)::3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one(Ethylketazocine, EKC)::CHEMBL279968::EKC::EKC(-)

SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21

InChI Key InChIKey=SEJUQQOPVAUETF-BKBNBNODSA-N

Data  35 KI  3 IC50  2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50000091   

TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50000091((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Affinity DataKi:  0.620nMAssay Description:Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(GUINEA PIG)
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50000091((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Affinity DataKi:  0.780nMAssay Description:Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50000091((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Affinity DataKi:  3.40nMAssay Description:Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50000091((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Affinity DataEC50:  5.5nMAssay Description:Incorporation of [35S]- GTPgammaS into CHO membranes expressing human Opioid receptor mu 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Rensselaer Polytechnic Institute

Curated by ChEMBL
LigandPNGBDBM50000091((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Affinity DataEC50:  1.10nMAssay Description:Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed