BDBM50027058 (1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2'',3'':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester::(1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester::2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester::CHEMBL31410::corynantheine

SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

InChI Key InChIKey=BLGXFZZNTVWLAY-DKJBZYCGSA-N

Data  10 KI  7 IC50  8 Kd

  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 25 hits for monomerid = 50027058   

TargetAlpha-1A adrenergic receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKi:  29nMAssay Description:Binding constant measured against Alpha-1A adrenergic receptor in human prostate; ++:moderately activeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Human)
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKi:  80nMAssay Description:Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A adrenergic receptor(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKi:  142nMAssay Description:Inhibition of [3H]prazosin binding to human Alpha-1A adrenergic receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2C adrenergic receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKi:  161nMAssay Description:Inhibition of [3H]rauwolscine to CHO cells expressing the human Alpha-2C adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1D adrenergic receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKi:  253nMAssay Description:Inhibition of [3H]prazosin binding to human Alpha-1D adrenergic receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2B adrenergic receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKi:  455nMAssay Description:Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2B adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1B adrenergic receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKi:  517nMAssay Description:Inhibition of [3H]prazosin binding to human Alpha-1B adrenergic receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKi:  1.22E+3nMAssay Description:Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2A adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Rat)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKi:  1.25E+3nMAssay Description:Inhibition of [3H]nitrendipine binding to membrane homogenates of rat cardiac muscle.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKi:  1.58E+4nMAssay Description:The ability to displace [3H]clonidine from the Alpha-2 adrenergic receptor was determined in rat brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataIC50:  1.75E+4nMAssay Description:Inhibition of specific [3H]clonidine binding (0.4 nM) to rat brain membranes Alpha-2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataIC50:  220nMAssay Description:Inhibition of specific [3H]prazosin binding (0.2 nM) to rat brain membranes alpha1 adrenoceptor.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKd:  6.40E+5nMAssay Description:Dissociation constant in low affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataIC50:  3.40E+5nMpH: 5.0Assay Description:Alpha-2 adrenergic receptor binding activity was determined displacement of [3H]-yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the polyme...More data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataIC50:  2.11E+5nMAssay Description:Compound was evaluated for the displacement of [3H]yohimbine in acetonitrile/acetic acid anti-corynanthine MIPs for Alpha-2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKd:  6.40E+5nMAssay Description:Dissociation constant in low affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKd:  2.50E+4nMAssay Description:Dissociation constant in high affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKd:  2.50E+4nMAssay Description:Dissociation constant in high affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKd:  2.50E+6nMAssay Description:Dissociation constant in low affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKd:  2.50E+6nMAssay Description:Dissociation constant in low affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataIC50:  8.71E+5nMpH: 5.0Assay Description:Compound was evaluated for the displacement of [3H]yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the polymer is anti-yohimbin MIPs for Al...More data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataIC50:  1.04E+6nMAssay Description:Compound was evaluated for the displacement of [3H]yohimbine in acetonitrile/acetic acid where the polymer is anti-yohimbin MIPs for Alpha-2 adrenerg...More data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKd:  3.30E+5nMAssay Description:Dissociation constant in high affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails
TargetReverse transcriptase(Human immunodeficiency virus type 1)
University of Illinois

Curated by ChEMBL
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataIC50: >5.64E+5nMAssay Description:Inhibition of HIV1 RTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50027058((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Affinity DataKd:  3.30E+5nMAssay Description:Dissociation constant in high affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails