Compile Data Set for Download or QSAR
Found 21 Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50012278'
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  100nMAssay Description:High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity modelMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23B60VGPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  1.30E+3nMAssay Description:Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affini...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23B60VGPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  2.10E+3nMAssay Description:TP_TRANSPORTER: inhibition of ATPase activity (Verapamil) in membranes from CEM/VLB100 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28K7B50PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  3.65E+4nMAssay Description:TP_TRANSPORTER: inhibition of Taxol transepithelial transport (basal to apical) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N300T9PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKi:  1.40E+5nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) in MDR1-expressing MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2BZ67B1PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCECMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZS2X8RPubMed
TargetATP-dependent translocase ABCB1(Mus musculus)
F. Hoffmann-LaRoche Ltd.

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZS2X8RPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

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))
Bulgarian Academy of Sciences

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))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataIC50: 1.77E+4nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21N82C8PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataIC50: 1.99E+4nMAssay Description:TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21N82C8PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataIC50: 2.90E+4nMAssay Description:TP_TRANSPORTER: inhibition of calcein-AM efflux in MDR1-expressing MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SB4712PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataIC50: 2.95E+4nMAssay Description:TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21N82C8PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataIC50: 3.40E+4nMAssay Description:Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity modelMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23B60VGPubMed
TargetATP-dependent translocase ABCB1(Mus musculus (Mouse))
F. Hoffmann-LaRoche Ltd.

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZS2X8RPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZS2X8RPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZS2X8RPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataKd:  3.00E+3nMAssay Description:TP_TRANSPORTER: binding in membrane vesicle from CEM/VLB100 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2G1623RPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataEC50:  1.46E+4nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation (Calcein-AM: 0.25 uM) in MDR-P388 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23F4QXBPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50012278((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)copy SMILEScopy InChI
Affinity DataEC50:  3.40E+4nMAssay Description:TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation (Calcein-AM: 0.25 uM) in MDR-CEM cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23F4QXBPubMed