BDBM50485274 CHEMBL2042911

SMILES [H][C@@]12CCN(C[C@@H]1C=C)[C@@]([H])(C2)[C@H](OC(=O)CCCCCCn1cc(CCCCC(=O)O[C@H](c2ccnc3ccc(OC)cc23)[C@]2([H])C[C@]3([H])CCN2C[C@@H]3C=C)nn1)c1ccnc2ccc(OC)cc12

InChI Key InChIKey=DPAQOEWKCXIZPF-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 50485274   

TargetATP-dependent translocase ABCB1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50485274(CHEMBL2042911)
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of p-glycoprotein expressed in human MCF-7/DX1 cells assessed as accumulation of calcein-AM by FACS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMed