BDBM32736 1-Allyl-8-bromo-7-(2-chloro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione::1-allyl-8-bromo-7-(2-chlorobenzyl)-3-methyl-xanthine::8-bromanyl-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enyl-purine-2,6-dione::8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-prop-2-enylpurine-2,6-dione::MLS000555959::SMR000147476::cid_1286771

SMILES Cn1c2nc(Br)n(Cc3ccccc3Cl)c2c(=O)n(CC=C)c1=O

InChI Key InChIKey=GJAGHPBEPHYTHR-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 32736   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32736(MLS000555959 | SMR000147476 | 1-Allyl-8-bromo-7-(2...)
Affinity DataIC50: 638nMpH: 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
LigandPNGBDBM32736(MLS000555959 | SMR000147476 | 1-Allyl-8-bromo-7-(2...)
Affinity DataIC50: 638nMAssay 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