BDBM50060965 2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,5-triaza-fluorene-1,3-dione::2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,6-triaza-fluorene-1,3-dione::2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,5-triaza-fluorene-1,3-dione::A-131701::CHEMBL40650

SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12

InChI Key InChIKey=OLPQNRLJYOGSGV-UHFFFAOYSA-N

Data  16 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50060965   

TargetAlpha-1A adrenergic receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  0.220nMAssay Description:Binding affinity against human adrenergic receptor subtype Alpha-1A adrenergic receptor using [3H]prazosin as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-1A adrenergic receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  0.220nMAssay Description:Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +++:highly activeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-1A adrenergic receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  0.270nMAssay Description:In vitro binding affinity using [3H]prazosin as radioligand against alpha-1A adrenergic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-1D adrenergic receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  0.510nMAssay Description:In vitro binding affinity using [3H]prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cellMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-1D adrenergic receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  0.970nMAssay Description:Binding affinity against human adrenergic receptor subtype Alpha-1D adrenergic receptor using [3H]prazosin as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-1B adrenergic receptor(Golden hamster)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  3.39nMAssay Description:In vitro binding affinity using [3H]prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cellMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-1B adrenergic receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  6.95nMAssay Description:Binding affinity against human adrenergic receptor subtype Alpha-1B adrenergic receptor using [3H]prazosin as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-2B adrenergic receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  13.1nMAssay Description:Binding affinity against rat Alpha-2B adrenergic receptor using [3H]rauwolscine as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-2C adrenergic receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  16.6nMAssay Description:Binding affinity against human Alpha-2C adrenergic receptor using [3H]rauwolscine as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetD(2) dopamine receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  19.7nMAssay Description:Binding affinity against Dopamine receptor D2 using [3H]spiroperidol as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Bovine)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  83nMAssay Description:Binding affinity against 5-hydroxytryptamine 2 receptor using [3H]ketanserin as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  94.9nMAssay Description:Binding affinity against human adrenergic receptor subtype Alpha-2A adrenergic receptor using [3H]rauwolscine as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetD(1A) dopamine receptor(Mouse)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  717nMAssay Description:Binding affinity against Dopamine receptor D1 using [3H]SCH-23390 as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1F(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  3.38E+3nMAssay Description:Binding affinity against 5-hydroxytryptamine 1 receptor using [3H]5-HT as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  3.87E+3nMAssay Description:Binding affinity against adrenergic receptor subtype Beta-2 adrenergic receptor using [3H]DHA as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-1 adrenergic receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50060965(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Affinity DataKi:  1.06E+4nMAssay Description:Binding affinity against Beta-1 adrenergic receptor using [3H]DHA as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed