BDBM50017681 (1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4-yl)-methyl]-5-vinyl-1-azonia-bicyclo[2.2.2]octane::(6-Methoxy-quinolin-4-yl)-((2S,4S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol::(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol::(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol; compound with sulfuric acid::(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol; sulphate::(S)-(6-Methoxy-quinolin-4-yl)-((2R,4S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol::(S)-(6-Methoxy-quinolin-4-yl)-((2R,4S,5S)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol::(S)-(6-Methoxy-quinolin-4-yl)-((2R,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol::(S)-(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol::(S)-(6-methoxy-quinolin-4-yl)-((2R,5S)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol::(S)-(6-methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol::(S)-(6-methoxyquinolin-4-yl)((2R,5R)-5-vinylquinuclidin-2-yl)methanol::(S)-(6-methoxyquinolin-4-yl)((3S,4R,7R)-3-vinylquinuclidin-7-yl)methanol::(S)-(6-methoxyquinolin-4-yl)[(2R,4S,5R)-5-vinyl-1-azabicyclo[2.2.2]oct-2-yl]methanol::(quinidine)(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol::6-methoxy-4-quinolyl-5-vinyl-1-azabicyclo[2.2.2]oct-2-yl-S-methanol::8R,9S(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol::CHEMBL97::CIN-QUIN::Cardioquin::Duraquin::QUINIDINE::Quinact::Quinaglute::Quinalan::Quinatime::Quinidex::Quinine::Quinora::TCMDC-131239

SMILES COc1ccc2nccc([C@H](O)C3CC4CCN3CC4C=C)c2c1

InChI Key InChIKey=LOUPRKONTZGTKE-LHFMAAMQSA-N

Data  9 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50017681   

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

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataKi:  40nMAssay Description:Inhibition of 1'-hydroxybufuralol formation by human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataKi:  43nMAssay Description:Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataKi:  43nMAssay Description:Inhibition of partially purified cytochrome P450 2D6 1'-hydroxybufuralol formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataKi:  80nMAssay Description:Inhibitory effect on Bufuralol 1'-hydroxylation by human liver microsomes (Ki = apparent inhibition constant)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSolute carrier family 22 member 1(Rat)
University of Heidelberg

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataKi:  6.00E+3nMAssay Description:TP_TRANSPORTER: inhibition of MPP+ uptake in OCT1-expressing HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetATP-dependent translocase ABCB1(Human)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataKi:  8.59E+3nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSolute carrier family 22 member 1(Rat)
University of Heidelberg

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataKi:  1.46E+4nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetSolute carrier family 22 member 2(Rat)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataKi:  1.91E+4nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT2-expressing MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetCytochrome P450 2C9(Human)
Astrazeneca R&D

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataKi:  3.20E+4nMAssay Description:Binding affinity towards cytochrome P450 2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSolute carrier family 22 member 1(Rat)
University of Heidelberg

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataIC50:  1.27E+4nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetATP-dependent translocase ABCB1(Human)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataIC50:  1.00E+3nMAssay Description:TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetATP-dependent translocase ABCB1(Human)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataIC50:  1.88E+4nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetATP-dependent translocase ABCB1(Human)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataIC50:  3.39E+4nMAssay Description:TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSolute carrier family 22 member 2(Rat)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataIC50:  1.46E+4nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetATP-dependent translocase ABCB1(Human)
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50017681((1S,2R,4S,5R)-2-[(S)-Hydroxy-(6-methoxy-quinolin-4...)
Affinity DataIC50:  2.20E+3nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed