BDBM30861 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester::4-keto-2-[(2-keto-2-pyrrolidino-ethyl)thio]-3-piperonyl-quinazoline-7-carboxylic acid methyl ester::MLS000095555::SMR000031106::cid_3239064::methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazoline-7-carboxylate::methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazoline-7-carboxylate::methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-3,4-dihydroquinazoline-7-carboxylate

SMILES COC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCCC1)n(Cc1ccc3OCOc3c1)c2=O

InChI Key InChIKey=VQMLNNTXQQAJLN-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 30861   

Target5-hydroxytryptamine receptor 1A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30861(methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-[(2-...)
Affinity DataEC50:  9.90E+4nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2009
Entry Details
PCBioAssay