BDBM50496868 CHEMBL3220345

SMILES Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](COC(=O)CCCCCCCCC(=O)OC[C@H]4C[C@H](C=C4)n4cnc5c(NC6CC6)nc(N)nc45)C=C3)c2n1

InChI Key InChIKey=FNRSGOVCRWQSMA-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50496868   

TargetATP-dependent translocase ABCB1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50496868(CHEMBL3220345)
Affinity DataIC50: 240nMAssay Description:Displacement of [125I]-iodoarylazidoprazosin from human P-gp expressed in baculovirus-infected insect Sf9 cells incubated for 10 mins followed by UV ...More 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
LigandPNGBDBM50496868(CHEMBL3220345)
Affinity DataIC50: 2.10E+3nMAssay 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
TargetATP-dependent translocase ABCB1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50496868(CHEMBL3220345)
Affinity DataIC50: 2.30E+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
LigandPNGBDBM50496868(CHEMBL3220345)
Affinity DataIC50: 3.60E+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