BDBM50639818 CHEMBL5532625

SMILES COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)Nc2ccc(C3CCN(Cc4cccc(-n5ccnc5)c4)CC3)cc2)cc1OC

InChI Key

  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 5 hits for monomerid = 50639818   

TargetATP-dependent translocase ABCB1(Human)
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50639818(CHEMBL5532625)
Affinity DataIC50: 9nMAssay Description:Inhibition of P-gp in human Caco-2 cells in presence of paclitaxelMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50639818(CHEMBL5532625)
Affinity DataIC50: 21nMAssay Description:Inhibition of P-gp (unknown origin) ATPase activityMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetATP-dependent translocase ABCB1(Human)
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50639818(CHEMBL5532625)
Affinity DataEC50:  28nMAssay Description:Inhibition of P-gp in human MES-SA/Dx5 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50639818(CHEMBL5532625)
Affinity DataIC50: 1.25E+3nMAssay Description:Inhibition of BCRP (unknown origin) ATPase activityMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetATP-binding cassette sub-family C member 2(Human)
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50639818(CHEMBL5532625)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MRP2 (unknown origin) ATPase activityMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed