BDBM45386 3-benzyl-4-keto-6,7,8,9-tetrahydropyrimid[4,5-b]indolizine-10-carbonitrile::3-benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]indolizine-10-carbonitrile::3-benzyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile::4-oxidanylidene-3-(phenylmethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile::4-oxo-3-(phenylmethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile::MLS000053119::SMR000069386::cid_755498

SMILES O=c1n(Cc2ccccc2)cnc2c(C#N)c3CCCCn3c12

InChI Key InChIKey=RPYXBCYDZWSQKJ-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 = 45386   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45386BDBM45386(4-oxidanylidene-3-(phenylmethyl)-6,7,8,9-tetrahydr...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay