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.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50030612   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Reverse transcriptase (Human immunodeficiency virus type 1)	BDBM50030612 (CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM50030612 (CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...) Show SMILES Show InChI	GoogleScholar	UniChem		3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Human)	BDBM50030612 (CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...) Show SMILES Show InChI	GoogleScholar	UniChem		3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM50030612 (CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...) Show SMILES Show InChI	GoogleScholar	UniChem		4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Human)	BDBM50030612 (CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...) Show SMILES Show InChI	GoogleScholar	UniChem		4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-2C adrenergic receptor (Human)	BDBM50030612 (CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...) Show SMILES Show InChI	GoogleScholar	UniChem		5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Human)	BDBM50030612 (CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...) Show SMILES Show InChI	GoogleScholar	UniChem		5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-2A adrenergic receptor (Human)	BDBM50030612 (CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...) Show SMILES Show InChI	GoogleScholar	UniChem		8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Human)	BDBM50030612 (CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...) Show SMILES Show InChI	GoogleScholar	UniChem		13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Human)	BDBM50030612 (CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...) Show SMILES Show InChI	GoogleScholar	UniChem		14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-2B adrenergic receptor (Human)	BDBM50030612 (CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...) Show SMILES Show InChI	GoogleScholar	UniChem		15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Voltage-dependent L-type calcium channel subunit alpha-1C (Rat)	BDBM50030612 (CHEMBL123325 | ajmalicine | (7aR,8S,11aS,12aS)-8-M...) Show SMILES Show InChI	GoogleScholar	UniChem		289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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