BDBM50567579 Encequidar::HM-30181::HM30181::HM30181AK::Pgp inhibitor hm30181ak::US11739089, Compound Encequidar

SMILES COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC

InChI Key InChIKey=AHJUHHDDCJQACA-UHFFFAOYSA-N

Data  10 IC50  3 EC50

  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 13 hits for monomerid = 50567579   

LigandPNGBDBM50567579(Encequidar | Pgp inhibitor hm30181ak | HM-30181 | ...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of benzmarone-stimulated MRP3 ATPase activity (unknown origin) in presence of GSHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
LigandPNGBDBM50567579(Encequidar | Pgp inhibitor hm30181ak | HM-30181 | ...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of sulfasalazine-stimulated MRP2 ATPase activity (unknown origin) in presence of GSHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
LigandPNGBDBM50567579(Encequidar | Pgp inhibitor hm30181ak | HM-30181 | ...)
Affinity DataIC50: 3.72E+3nMAssay Description:Inhibition of sulfasalazine-stimulated BCRP ATP ase activity (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
LigandPNGBDBM50567579(Encequidar | Pgp inhibitor hm30181ak | HM-30181 | ...)
Affinity DataIC50: 2.72E+4nMAssay Description:Inhibition of NEM-GS-stimulated MRP1 ATPase activity (unknown origin) in presence of GSHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50567579(Encequidar | Pgp inhibitor hm30181ak | HM-30181 | ...)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of paclitaxel stimulated- P-gp ATPase activity (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50567579(Encequidar | Pgp inhibitor hm30181ak | HM-30181 | ...)
Affinity DataEC50:  13nMAssay Description:Inhibition of P-gp (unknown origin) expressed in MES-SA/DX5 cells assessed as cell growth inhibition after 3 days in presence of 200 nM paclitaxel by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50567579(Encequidar | Pgp inhibitor hm30181ak | HM-30181 | ...)
Affinity DataEC50:  7.90nMAssay Description:Inhibition of P-gp (unknown origin) expressed in MCF7 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50567579(Encequidar | Pgp inhibitor hm30181ak | HM-30181 | ...)
Affinity DataEC50:  4.90nMAssay Description:Inhibition of P-gp (unknown origin) expressed in MES-SA/DX5 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50567579(Encequidar | Pgp inhibitor hm30181ak | HM-30181 | ...)
Affinity DataIC50: 53nMAssay Description:Inhibition of P-gp in human Caco-2 cells assessed as reduction in paclitaxel efflux pre-incubated for 30 mins and measured after 120 mins by LC-MS/MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50567579(Encequidar | Pgp inhibitor hm30181ak | HM-30181 | ...)
Affinity DataIC50: 16nMAssay Description:Reversal of P-gp-mediated multidrug resistance in human KB/VCR cells assessed as potentiation of vincristine-induced antiproliferative activity by me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50567579(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
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50567579(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
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50567579(Encequidar | Pgp inhibitor hm30181ak | HM-30181 | ...)
Affinity DataIC50: 1.00E+3nMAssay Description:Test compounds, DMSO (negative control), and ketoconazole (positive control) were diluted to 4× final concentrations in water. The standard final Com...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2023
Entry Details
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