BDBM50504430 CHEMBL4474330

SMILES [H][C@@]12C[C@]3(OC(=O)C=C3C[C@@H]1N(CCC)C(=O)CCCCCCC(=O)N(CCC)[C@H]1CC3=CC(=O)O[C@]33C[C@@]1([H])N1CCCC[C@@]31[H])[C@]1([H])CCCCN21

InChI Key InChIKey=BEWQNSXDQMQWLG-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50504430   

TargetATP-dependent translocase ABCB1(Human)
Jinan University

Curated by ChEMBL
LigandPNGBDBM50504430(CHEMBL4474330)
Affinity DataIC50: 300nMAssay Description:Reversal of P-gp mediated multidrug resistance in human HepG2/DOX cells assessed as doxorubicin IC50 at 10 uM measured within 48 hrs by MTT assay (Rv...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Jinan University

Curated by ChEMBL
LigandPNGBDBM50504430(CHEMBL4474330)
Affinity DataIC50: 1.20E+3nMAssay Description:Reversal of P-gp mediated multidrug resistance in human MCF7/ADM cells assessed as doxorubicin IC50 at 10 uM measured within 48 hrs by MTT assay (Rvb...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Jinan University

Curated by ChEMBL
LigandPNGBDBM50504430(CHEMBL4474330)
Affinity DataIC50: 1.40E+3nMAssay Description:Reversal of P-gp mediated multidrug resistance in human HepG2/DOX cells assessed as doxorubicin IC50 at 5 uM measured within 48 hrs by MTT assay (Rvb...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Jinan University

Curated by ChEMBL
LigandPNGBDBM50504430(CHEMBL4474330)
Affinity DataIC50: 1.46E+4nMAssay Description:Reversal of P-gp mediated multidrug resistance in human MCF7/ADM cells assessed as doxorubicin IC50 at 5 uM measured within 48 hrs by MTT assay (Rvb ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed