BDBM50001054 4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-10,17-diol(ioxy)

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

InChI Key InChIKey=XEXVJJBUTPOPFH-UHFFFAOYSA-N

Data  12 KI  12 IC50

  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 24 hits for monomerid = 50001054   

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

Curated by ChEMBL
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataKi:  0.290nMAssay 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataKi:  0.420nMAssay 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
TargetMu-type opioid receptor(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataIC50: 0.770nMAssay 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataKi:  0.800nMAssay 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
TargetKappa-type opioid receptor(Guinea pig)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataIC50: 0.890nMAssay 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
TargetKappa-type opioid receptor(Guinea pig)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataKi:  1.5nMAssay 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
TargetMu-type opioid receptor(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataKi:  1.70nMAssay 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataKi:  2.10nMAssay 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataKi:  2.30nMAssay 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataIC50: 2.60nMAssay 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataKi:  2.70nMAssay Description:In vito concentration required to displace 9 (Kd = 1.6 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataIC50: 2.70nMAssay 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
TargetKappa-type opioid receptor(Guinea pig)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataIC50: 3.20nMAssay 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 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataIC50: 4.30nMAssay 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
TargetDelta-type opioid receptor(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataKi:  6.90nMAssay 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 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataIC50: 7.20nMAssay 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 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataIC50: 7.70nMAssay 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataIC50: 8.10nMAssay 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 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataKi:  8.5nMAssay 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataKi:  12nMAssay 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
TargetKappa-type opioid receptor(Guinea pig)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataIC50: 24nMAssay 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataIC50: 25.6nMAssay 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataIC50: 26nMAssay 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
LigandPNGBDBM50001054(4-cyclopropylmethyl-14-iodo-(14R,17S)-12-oxa-4-aza...)
Affinity DataKi:  46nMAssay 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