BDBM50001055 4-cyclopropylmethyl-14-fluoro-(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(cyclofoxy)

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

InChI Key InChIKey=PFHGRTXJSIKXPW-UHFFFAOYSA-N

Data  6 KI  6 IC50

  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 12 hits for monomerid = 50001055   

TargetMu-type opioid receptor(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001055(4-cyclopropylmethyl-14-fluoro-(13R,14R,17S)-12-oxa...)
Affinity DataKi:  3.30nMAssay 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 Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001055(4-cyclopropylmethyl-14-fluoro-(13R,14R,17S)-12-oxa...)
Affinity DataKi:  3.40nMAssay Description:In vito concentration required to displace [3H]cyclofoxy (Kd = 0.8 nM and concentration is 1.3 nM) from mu and kappa2 receptor in rat brain membranes...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Guinea pig)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001055(4-cyclopropylmethyl-14-fluoro-(13R,14R,17S)-12-oxa...)
Affinity DataKi:  3.70nMAssay 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 Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Guinea pig)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001055(4-cyclopropylmethyl-14-fluoro-(13R,14R,17S)-12-oxa...)
Affinity DataIC50: 7.90nMAssay 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 Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001055(4-cyclopropylmethyl-14-fluoro-(13R,14R,17S)-12-oxa...)
Affinity DataIC50: 9nMAssay Description:In vito concentration required to displace [3H]cyclofoxy (Kd = 0.8 nM and concentration is 1.3 nM) from mu and kappa2 receptor in rat brain membranes...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001055(4-cyclopropylmethyl-14-fluoro-(13R,14R,17S)-12-oxa...)
Affinity DataIC50: 11nMAssay 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 Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001055(4-cyclopropylmethyl-14-fluoro-(13R,14R,17S)-12-oxa...)
Affinity DataKi:  14nMAssay 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 Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001055(4-cyclopropylmethyl-14-fluoro-(13R,14R,17S)-12-oxa...)
Affinity DataIC50: 16nMAssay 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 Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Guinea pig)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001055(4-cyclopropylmethyl-14-fluoro-(13R,14R,17S)-12-oxa...)
Affinity DataKi:  24nMAssay 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 Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Guinea pig)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001055(4-cyclopropylmethyl-14-fluoro-(13R,14R,17S)-12-oxa...)
Affinity DataIC50: 66nMAssay 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 Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001055(4-cyclopropylmethyl-14-fluoro-(13R,14R,17S)-12-oxa...)
Affinity DataKi:  122nMAssay 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 Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001055(4-cyclopropylmethyl-14-fluoro-(13R,14R,17S)-12-oxa...)
Affinity DataIC50: 268nMAssay 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 Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed