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 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1

InChI Key InChIKey=QEVHRUUCFGRFIF-MDEJGZGSSA-N

Data  23 KI  43 IC50  1 Kd  1 EC50

PDB links: 10 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50017712   

TargetBile salt export pump(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)
Affinity DataIC50:  1.02E+4nMAssay Description:TP_TRANSPORTER: increase in dihydrofluorescein intracellular accumulation (dihydrofluorescein: 1 uM) in SK-E2 cells (expressing BSEP)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)
Affinity DataIC50:  8.40E+3nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)
Affinity DataIC50: <1.00E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)
Affinity DataIC50:  8.35E+3nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)
Affinity DataIC50:  8.40E+3nMAssay Description:Inhibition of human BSEP expressed in HEK293 cell membrane vesicles assessed as reduction in 3H-TCA uptake incubated for 5 mins by radiodetection met...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed