BDBM50603614 CHEMBL5196742

SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NCCCc3ccc(OC)c(O)c3)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCC

InChI Key InChIKey=NQMDSSWFRCKHSD-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  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 2 hits for monomerid = 50603614   

TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
National Cancer Institute (Ba, Mm, Sl, Sva)

Curated by ChEMBL
LigandPNGBDBM50603614(CHEMBL5196742)
Affinity DataEC50:  24nMAssay Description:Activation of human ABCG2-mediated ATPase activity preincubated for 2 mins followed by ATP addition and measured after 20 mins by colorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
National Cancer Institute (Ba, Mm, Sl, Sva)

Curated by ChEMBL
LigandPNGBDBM50603614(CHEMBL5196742)
Affinity DataIC50: 600nMAssay Description:Inhibition of human ABCG2 in human R5 cells assessed as inhibition of mitoxantrone efflux measured by flow cytometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed