BDBM50017712 (-)-reserpine::(3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester::3,4,5-trimethoxybenzoyl methyl reserpate::Apoplon::CHEMBL772::NCGC00091250::RESERPINE::Reserpin::Serpalan::cid_5770::methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate

SMILES: COc1ccc2c(c1)[nH]c3c2CCN4[C@@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC

InChI Key: InChIKey=QEVHRUUCFGRFIF-UHFFFAOYSA-N

Data: 23 KI  45 IC50  1 Kd  1 EC50

PDB links: 12 PDB IDs match 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 70 hits for monomerid = 50017712   

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
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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ATP-binding cassette sub-family C member 2 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 4 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Mouse)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Acetylcholinesterase (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Cholinesterase (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter [G308A] (Rat)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.5	n/a	n/a	n/a	n/a	8.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Arachidonate 15-lipoxygenase (Pseudomonas aeruginosa)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	25
TBA									Citation and Details
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Cystic fibrosis transmembrane conductance regulator (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rat)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.5	n/a	n/a	n/a	n/a	8.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter [G308P] (Rat)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	8.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter [P314L] (Rat)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.90	n/a	n/a	n/a	n/a	8.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter [P314T] (Rat)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.30	n/a	n/a	n/a	n/a	8.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter [P314G] (Rat)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.80	n/a	n/a	n/a	n/a	8.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter [V41A] (Rat)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30	n/a	n/a	n/a	n/a	8.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter [V41I] (Rat)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.70	n/a	n/a	n/a	n/a	8.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter [V132A] (Rat)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>50	n/a	n/a	n/a	n/a	8.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter [V132G] (Rat)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>100	n/a	n/a	n/a	n/a	8.5	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bile salt export pump (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Bovine)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		1	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
Synaptic vesicular amine transporter (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		5.30	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
ATP-dependent translocase ABCB1 (Human)	BDBM50017712 (Apoplon | 3,4,5-trimethoxybenzoyl methyl reserpate...) Show SMILES Show InChI	GoogleScholar	UniChem		100	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