Compile Data Set for Download or QSAR

Found 6 hits of Enzyme Inhibition Constant Data   

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

Curated by ChEMBL
LigandPNGBDBM50206310(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)copy SMILEScopy InChI
Affinity DataKi:  40nMAssay Description:TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cellsMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataKi:  350nMAssay Description:TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP05N6PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50121975((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)copy SMILEScopy InChI
Affinity DataKi:  430nMAssay Description:TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP05N6PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)copy SMILEScopy InChI
Affinity DataKi:  880nMAssay Description:TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP05N6PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)copy SMILEScopy InChI
Affinity DataKi:  2.31E+3nMAssay Description:TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP05N6PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University of Kansas

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  1.50E+4nMAssay Description:TP_TRANSPORTER: transepithelial transport of digoxin (basal to apical) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BP05N6PubMed
* indicates data uncertainty>20%