BDBM50526786 CHEMBL4591618

SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)c1cccc(OC(=O)CCCSSCCCC(=O)OC[C@H]3C[C@H](C=C3)n3cnc4c(NC5CC5)nc(N)nc34)c1C)[C@@H](C2)C(=O)NC(C)(C)C

InChI Key InChIKey=UYDWUMXOVDVOOD-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 50526786   

TargetATP-dependent translocase ABCB1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50526786(CHEMBL4591618)
Affinity DataIC50: 410nMAssay Description:Inhibition of P-gp in human CMEC/D3 cells using NBD-Aba as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50526786(CHEMBL4591618)
Affinity DataIC50: 590nMAssay Description:Inhibition of P-gp in human CMEC/D3 cells using calcein-AM as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50526786(CHEMBL4591618)
Affinity DataIC50: 650nMAssay Description:Inhibition of P-gp in human 12D7-MDR cells using NBD-Aba as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50526786(CHEMBL4591618)
Affinity DataIC50: 770nMAssay Description:Inhibition of P-gp in human 12D7-MDR cells using calcein-AM as substrate after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed