BDBM50001053 14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-10,17-diol(cyclobroxy)

SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](Br)CC[C@@]35O

InChI Key InChIKey=FKIMQZYKFBLWAV-XYTCHPFFSA-N

Data  6 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50001053   

TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001053(14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...)
Affinity DataKi:  0.320nMAssay Description:In vito concentration required to displace 9 (Kd = 1.6 nM and concentration is 1.8 nM) from opioid receptor kappa 1 in guinea brain membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001053(14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...)
Affinity DataKi:  1.20nMAssay Description:In vito concentration required to displace [3H]DAGO (Kd = 0.7 nM and concentration is 1.7 nM) from opioid receptor mu in rat brain membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001053(14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...)
Affinity DataKi:  1.20nMAssay Description:In vito concentration required to displace 9 (Kd = 1.6 nM and concentration is 1.8 nM) from opioid receptor kappa 1 in guinea brain membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001053(14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...)
Affinity DataKi:  2nMAssay Description:In vito concentration required to displace [3H]DADLE (Kd = 1.6 nM and concentration is 1.9 nM) from high affinity delta-site in rat brain membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001053(14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...)
Affinity DataKi:  4.90nMAssay Description:In vito concentration required to displace [3H]DADLE (Kd = 12.2 nM and concentration is 2.1 nM) from low affinity delta-site in rat brain membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001053(14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...)
Affinity DataKi:  7.20nMAssay Description:In vito concentration required to displace [3H]BRM (Kd = 1.0 nM and concentration is 1.8 nM) from opioid receptor kappa 2 in guinea brain membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001053(14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...)
Affinity DataIC50:  0.700nMAssay Description:In vito concentration required to displace 9 (Kd = 1.6 nM and concentration is 1.8 nM) from opioid receptor kappa 1 in guinea brain membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001053(14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...)
Affinity DataIC50:  20nMAssay Description:In vito concentration required to displace 9 (Kd = 1.6 nM and concentration is 1.8 nM) from opioid receptor kappa 1 in guinea brain membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001053(14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...)
Affinity DataIC50:  4.30nMAssay Description:In vito concentration required to displace [3H]-BRM (Kd = 1.0 nM and concentration is 1.8 nM) from opioid receptor kappa 2 in guinea brain membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001053(14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...)
Affinity DataIC50:  5.80nMAssay Description:In vito concentration required to displace [3H]DADLE (Kd = 12.2 nM and concentration is 2.1 nM) from low affinity delta-site in rat brain membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001053(14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...)
Affinity DataIC50:  3.10nMAssay Description:In vito concentration required to displace [3H]-DADLE (Kd = 12.2 nM and concentration is 2.1 nM) from low affinity delta-site in rat brain membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001053(14-bromo-4-cyclopropylmethyl-(13R,14R,17S)-12-oxa-...)
Affinity DataIC50:  4.20nMAssay Description:In vito concentration required to displace [3H]DAGO (Kd = 0.7 nM and concentration is 1.7 nM) from opioid receptor mu in rat brain membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed