BDBM50496872 CHEMBL3220343

SMILES Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](COC(=O)CCCCCC(=O)OC[C@@H]4C=C[C@H](n5cnc6c(NC7CC7)nc(N)nc65)C4)C3)c2n1

InChI Key InChIKey=SRQYGCFPSZBXOJ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50496872   

TargetATP-dependent translocase ABCB1(Human)
Purdue University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50496872BDBM50496872(CHEMBL3220343)
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of P-gp in human CMEC/D3 cells assessed as inhibition of NBD-Aba efflux after 30 mins by flow cytometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Purdue University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50496872BDBM50496872(CHEMBL3220343)
Affinity DataIC50: 7.70E+3nMAssay Description:Inhibition of P-gp overexpressed in human 12D7-MDR cells assessed as inhibition of calcein-AM efflux after 30 mins by flow cytometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Purdue University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50496872BDBM50496872(CHEMBL3220343)
Affinity DataIC50: 1.05E+4nMAssay Description:Inhibition of P-gp overexpressed in human 12D7-MDR cells assessed as inhibition of NBD-Aba efflux after 30 mins by flow cytometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed