BDBM32742 1-(3-Hydroxy-propyl)-2-phenyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione::1-(3-hydroxypropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione::1-(3-oxidanylpropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione::MLS000558115::SMR000148831::cid_1556792

SMILES OCCCn1c2CCCCc2c(=S)nc1-c1ccccc1

InChI Key InChIKey=ILWVRVJPGIIYNZ-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 32742   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32742(cid_1556792 | 1-(3-Hydroxy-propyl)-2-phenyl-5,6,7,...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32742(cid_1556792 | 1-(3-Hydroxy-propyl)-2-phenyl-5,6,7,...)
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:
4/30/2011
Entry Details
PCBioAssay