BDBM50572421 CHEMBL4872987

SMILES CC(C)c1ccc2ncc(C#N)c(N3CCCN(CC3)c3nnc(s3)C(F)(F)F)c2c1

InChI Key InChIKey=LQNAYPDQZDOUEJ-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50572421   

LigandPNGBDBM50572421(CHEMBL4872987)
Affinity DataIC50: 3.91E+3nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in MDCK2-BCRP cells preincubated for 30 mins followed by Hoechst 33342 addition and measured at 60 sec...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetMultidrug resistance-associated protein 1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50572421(CHEMBL4872987)
Affinity DataIC50: 2.26E+3nMAssay Description:Inhibition of ABCC1 (unknown origin) expressed in H69AR cells assessed as reduction in daunorubicin accumulation after 180 mins by flow cytometry ana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50572421(CHEMBL4872987)
Affinity DataIC50: 5.88E+3nMAssay Description:Inhibition of ABCB1 (unknown origin) expressed in A2780/ADR cells preincubated for 30 mins followed by Hoechst 33342 addition and measured at 60 secs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50572421(CHEMBL4872987)
Affinity DataIC50: 2.53E+3nMAssay Description:Inhibition of ABCB1 (unknown origin) expressed in A2780/ADR cells preincubated for 30 mins followed by calcein AM addition and measured at 60 secs ti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetMultidrug resistance-associated protein 1(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50572421(CHEMBL4872987)
Affinity DataIC50: 9.11E+3nMAssay Description:Inhibition of ABCC1 (unknown origin) expressed in H69AR cells preincubated for 30 mins followed by calcein-AM addition measured at 60 secs time inter...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
LigandPNGBDBM50572421(CHEMBL4872987)
Affinity DataIC50: 1.98E+3nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in MDCK2-BCRP cells assessed as reduction in pheophorbide A accumulation measured after 120 mins by fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed