BDBM32817 3-chloranyl-1-(4-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione::3-chloro-1-(4-methoxyphenyl)-4-(3-methyl-1-piperidinyl)-1H-pyrrole-2,5-dione::3-chloro-1-(4-methoxyphenyl)-4-(3-methyl-1-piperidinyl)pyrrole-2,5-dione::3-chloro-1-(4-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione::3-chloro-1-(4-methoxyphenyl)-4-(3-methylpiperidino)-3-pyrroline-2,5-quinone::MLS000534988::SMR000142424::cid_2791456

SMILES COc1ccc(cc1)N1C(=O)C(Cl)=C(N2CCCC(C)C2)C1=O

InChI Key InChIKey=PXGIAWSSFXNWBW-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 32817   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 32817BDBM32817(SMR000142424 | cid_2791456 | 3-chloranyl-1-(4-meth...)
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
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 32817BDBM32817(SMR000142424 | cid_2791456 | 3-chloranyl-1-(4-meth...)
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