BDBM50551365 CHEMBL4764773

SMILES CCC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1cn(nn1)-c1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1

InChI Key InChIKey=KQTJIUOOFLJRAY-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50551365   

TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50551365(CHEMBL4764773)
Affinity DataIC50: 79nMAssay Description:Inhibition of human ABCG2 in human MCF7/Topo cells assessed as accumulation of substrate Hoechst 33345 stain measured after 2 hrs by fluorometric mic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50551365(CHEMBL4764773)
Affinity DataIC50: 79nMAssay Description:Inhibition of ABCG2 in topotecan-cultured human MCF7 cells using Hoechst 33342 as substrate measured after 2 hrs by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50551365(CHEMBL4764773)
Affinity DataEC50:  70nMAssay Description:Activation of ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substrate measured after 1 hr by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50551365(CHEMBL4764773)
Affinity DataIC50: 96nMAssay Description:Inhibition of sulfasalazine-stimulated ABCB1 ATPase activity (unknown origin) expressed in baculovirus infected Sf9 insect cells using ATP as substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed