Compile Data Set for Download or QSAR
Report error Found 46 Enz. Inhib. hit(s) with all data for entry = 50015132
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583070BDBM50583070(CHEMBL5074763 | US11739089, Compound 30)
Affinity DataIC50: 8nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50567579BDBM50567579(Encequidar | Pgp inhibitor hm30181ak | HM-30181 | ...)
Affinity DataIC50: 11nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583064BDBM50583064(CHEMBL5076722 | US11739089, Compound 27)
Affinity DataIC50: 14nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583069BDBM50583069(CHEMBL5076816 | US11739089, Compound 18)
Affinity DataIC50: 18nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583063BDBM50583063(CHEMBL5075886 | US11739089, Compound 26)
Affinity DataIC50: 35nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583068BDBM50583068(CHEMBL5081940 | US11739089, Compound 17)
Affinity DataIC50: 39nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583061BDBM50583061(CHEMBL5081545 | US11739089, Compound 24)
Affinity DataIC50: 39nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583067BDBM50583067(CHEMBL5083331 | US11739089, Compound 16)
Affinity DataIC50: 41nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583053BDBM50583053(CHEMBL5077462 | US11739089, Compound 7)
Affinity DataIC50: 49nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583054BDBM50583054(CHEMBL5075114 | US11739089, Compound 6)
Affinity DataIC50: 50nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583066BDBM50583066(CHEMBL5090486 | US11739089, Compound 29)
Affinity DataIC50: 61nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 8610BDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 77nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583055BDBM50583055(CHEMBL5076237)
Affinity DataIC50: 91nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583058BDBM50583058(CHEMBL5094677 | US11739089, Compound 21)
Affinity DataIC50: 94nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583052BDBM50583052(CHEMBL5084749 | US11739089, Compound 1)
Affinity DataIC50: 149nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583065BDBM50583065(CHEMBL5072078 | US11739089, Compound 28)
Affinity DataIC50: 210nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583059BDBM50583059(CHEMBL5073106 | US11739089, Compound 22)
Affinity DataIC50: 222nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583050BDBM50583050(CHEMBL5094781 | US11739089, Compound 8)
Affinity DataIC50: 305nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583051BDBM50583051(CHEMBL5080434 | US11739089, Compound 10)
Affinity DataIC50: 397nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583060BDBM50583060(CHEMBL5079066 | US11739089, Compound 23)
Affinity DataIC50: 495nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583060BDBM50583060(CHEMBL5079066 | US11739089, Compound 23)
Affinity DataIC50: 516nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583065BDBM50583065(CHEMBL5072078 | US11739089, Compound 28)
Affinity DataIC50: 726nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583068BDBM50583068(CHEMBL5081940 | US11739089, Compound 17)
Affinity DataIC50: 851nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583062BDBM50583062(CHEMBL5074563 | US11739089, Compound 25)
Affinity DataIC50: 993nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583054BDBM50583054(CHEMBL5075114 | US11739089, Compound 6)
Affinity DataIC50: 1.05E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 8610BDBM8610(24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4...)
Affinity DataIC50: 1.06E+3nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583053BDBM50583053(CHEMBL5077462 | US11739089, Compound 7)
Affinity DataIC50: 1.07E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583067BDBM50583067(CHEMBL5083331 | US11739089, Compound 16)
Affinity DataIC50: 1.24E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583050BDBM50583050(CHEMBL5094781 | US11739089, Compound 8)
Affinity DataIC50: 1.28E+3nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583051BDBM50583051(CHEMBL5080434 | US11739089, Compound 10)
Affinity DataIC50: 1.28E+3nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583052BDBM50583052(CHEMBL5084749 | US11739089, Compound 1)
Affinity DataIC50: 1.28E+3nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583056BDBM50583056(CHEMBL5074836 | US11739089, Compound 19)
Affinity DataIC50: 1.28E+3nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583057BDBM50583057(CHEMBL5077301 | US11739089, Compound 20)
Affinity DataIC50: 1.28E+3nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583061BDBM50583061(CHEMBL5081545 | US11739089, Compound 24)
Affinity DataIC50: 1.47E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583069BDBM50583069(CHEMBL5076816 | US11739089, Compound 18)
Affinity DataIC50: 2.04E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583057BDBM50583057(CHEMBL5077301 | US11739089, Compound 20)
Affinity DataIC50: 3.34E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583055BDBM50583055(CHEMBL5076237)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583056BDBM50583056(CHEMBL5074836 | US11739089, Compound 19)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583058BDBM50583058(CHEMBL5094677 | US11739089, Compound 21)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583059BDBM50583059(CHEMBL5073106 | US11739089, Compound 22)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583062BDBM50583062(CHEMBL5074563 | US11739089, Compound 25)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583063BDBM50583063(CHEMBL5075886 | US11739089, Compound 26)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583064BDBM50583064(CHEMBL5076722 | US11739089, Compound 27)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50567579BDBM50567579(Encequidar | Pgp inhibitor hm30181ak | HM-30181 | ...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583066BDBM50583066(CHEMBL5090486 | US11739089, Compound 29)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50583070BDBM50583070(CHEMBL5074763 | US11739089, Compound 30)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed