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 C[C@H]1[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)OC

InChI Key InChIKey=GRTOGORTSDXSFK-UHFFFAOYSA-N

Data  11 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50030612   

TargetReverse transcriptase(Human immunodeficiency virus type 1)
University of Illinois

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
Affinity DataIC50: 5.67E+5nMAssay Description:Inhibition of HIV1 RTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
Affinity DataKi:  3.30nMAssay Description:Inhibitory constant for cytochrome P450 2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
Affinity DataKi:  3.5nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
Affinity DataKi:  4.60nMAssay Description:Apparent inhibitory constant (Ki) for Bufuralol 1'-hydroxylation by human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2C adrenergic receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
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 Depth
Date in BDB:
10/30/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
Affinity DataKi:  5.70nMAssay Description:Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2A adrenergic receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
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 Depth
Date in BDB:
10/30/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
Affinity DataKi:  13nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Institut F£R Toxikologie

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
Affinity DataKi:  14nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2B adrenergic receptor(Human)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
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 Depth
Date in BDB:
10/30/2012
Entry Details Article
PubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Rat)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50030612(CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...)
Affinity DataKi:  289nMAssay Description:Inhibition of [3H]nitrendipine binding to membrane homogenates of rat cardiac muscle.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/30/2012
Entry Details Article
PubMed