BDBM50030612 (7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13-octahydro-7H-9-oxa-6a,13-diaza-indeno[2,1-a]anthracene-11-carboxylic acid methyl ester::CHEMBL123325::RAUWOLFIA SERPENTINA ROOT::ajmalicine

SMILES COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12

InChI Key InChIKey=GRTOGORTSDXSFK-XJTZBENFSA-N

Data  11 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50030612   

TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  3.30nMAssay Description:Inhibitory constant for cytochrome P450 2D6More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  3.5nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  4.60nMAssay Description:Apparent inhibitory constant (Ki) for Bufuralol 1'-hydroxylation by human liver microsomesMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  5nMAssay Description:Inhibition of [3H]rauwolscine to CHO cells expressing the human Alpha-2C adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  5.70nMAssay Description:Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formationMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  8.20nMAssay 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
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  13nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  14nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  15nMAssay 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
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(RAT)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataKi:  289nMAssay Description:Inhibition of [3H]nitrendipine binding to membrane homogenates of rat cardiac muscle.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
University Of Illinois

Curated by ChEMBL
LigandPNGBDBM50030612((7aR,8S,11aS,12aS)-8-Methyl-5,6,7a,8,11a,12,12a,13...)
Affinity DataIC50: >5.67E+5nMAssay Description:Inhibition of HIV1 RTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed