BDBM42020 (2R)-5-[4-(4-cyanophenyl)-1-piperazinyl]-5-oxo-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pentanoic acid tert-butyl ester::(2R)-5-[4-(4-cyanophenyl)piperazino]-5-keto-2-(4-keto-2-thioxo-1H-quinazolin-3-yl)valeric acid tert-butyl ester::AS-1030-66::cid_24178284::tert-butyl (2R)-5-[4-(4-cyanophenyl)piperazin-1-yl]-5-oxidanylidene-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)pentanoate::tert-butyl (2R)-5-[4-(4-cyanophenyl)piperazin-1-yl]-5-oxo-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pentanoate

SMILES CC(C)(C)OC(=O)[C@@H](CCC(=O)N1CCN(CC1)c1ccc(cc1)C#N)n1c(=S)[nH]c2ccccc2c1=O

InChI Key InChIKey=ISXDIHCPFKHOFE-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 42020   

TargetEstrogen receptor(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM42020(AS-1030-66 | tert-butyl (2R)-5-[4-(4-cyanophenyl)p...)
Affinity DataIC50: 80nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2011
Entry Details
PCBioAssay