Compile Data Set for Download or QSAR
Found 24 Enz. Inhib. hit(s) with all data for entry = 50041531
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50305080(CHEMBL247473 | N-(2-(4-(2-(6,7-dimethoxy-3,4-dihyd...)copy SMILEScopy InChI
Affinity DataIC50: 331nMAssay Description:Inhibition of P-glycoprotein by Hoechst assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50305080(CHEMBL247473 | N-(2-(4-(2-(6,7-dimethoxy-3,4-dihyd...)copy SMILEScopy InChI
Affinity DataIC50: 339nMAssay Description:Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50375813(CHEMBL428402 | XR-9577)copy SMILEScopy InChI
Affinity DataIC50: 355nMAssay Description:Inhibition of P-glycoprotein by Hoechst assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50375813(CHEMBL428402 | XR-9577)copy SMILEScopy InChI
Affinity DataIC50: 490nMAssay Description:Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50375810(CHEMBL346292 | XR-9456)copy SMILEScopy InChI
Affinity DataIC50: 513nMAssay Description:Inhibition of P-glycoprotein by Hoechst assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50411588(CHEMBL248480)copy SMILEScopy InChI
Affinity DataIC50: 813nMAssay Description:Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50375810(CHEMBL346292 | XR-9456)copy SMILEScopy InChI
Affinity DataIC50: 851nMAssay Description:Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 1.41E+3nMAssay Description:Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50022815((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)copy SMILEScopy InChI
Affinity DataIC50: 1.41E+3nMAssay Description:Inhibition of P-glycoprotein by Hoechst assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)copy SMILEScopy InChI
Affinity DataIC50: 3.02E+3nMAssay Description:Inhibition of P-glycoprotein by Hoechst assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50017712((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)copy SMILEScopy InChI
Affinity DataIC50: 3.24E+3nMAssay Description:Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50338982((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)copy SMILEScopy InChI
Affinity DataIC50: 4.57E+3nMAssay Description:Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50367298(Cardene | NICARDIPINE)copy SMILEScopy InChI
Affinity DataIC50: 4.79E+3nMAssay Description:Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50367298(Cardene | NICARDIPINE)copy SMILEScopy InChI
Affinity DataIC50: 5.13E+3nMAssay Description:Inhibition of P-glycoprotein by Hoechst assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50338982((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)copy SMILEScopy InChI
Affinity DataIC50: 6.61E+3nMAssay Description:Inhibition of P-glycoprotein by Hoechst assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)copy SMILEScopy InChI
Affinity DataIC50: 7.24E+3nMAssay Description:Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of P-glycoprotein by Hoechst assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataIC50: 1.05E+4nMAssay Description:Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM13530(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)copy SMILEScopy InChI
Affinity DataIC50: 1.26E+4nMAssay Description:Inhibition of P-glycoprotein by Hoechst assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 4.27E+4nMAssay Description:Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM8903((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)copy SMILEScopy InChI
Affinity DataIC50: 4.79E+4nMAssay Description:Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM8903((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)copy SMILEScopy InChI
Affinity DataIC50: 4.90E+4nMAssay Description:Inhibition of P-glycoprotein by Hoechst assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50004704((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)copy SMILEScopy InChI
Affinity DataIC50: 6.17E+4nMAssay Description:Inhibition of P-glycoprotein by Hoechst assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50338982((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)copy SMILEScopy InChI
Affinity DataIC50: 1.35E+8nMAssay Description:Inhibition of P-glycoprotein expressed in MDCK-MDR1 cells by calcein AM assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8F0NPubMed