BDBM32835 (4-methylphenyl)-(2-methylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)methanone::(4-methylphenyl)-[2-(methylthio)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]methanone::MLS000544330::SMR000160479::[2-(methylthio)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]-(p-tolyl)methanone::cid_5219869::methyl 1-(4-methylbenzoyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl sulfide

SMILES CSc1nc2cc3OCCOc3cc2n1C(=O)c1ccc(C)cc1

InChI Key InChIKey=IGUWUTUJRGNIDR-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 = 32835   

TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32835(MLS000544330 | cid_5219869 | methyl 1-(4-methylben...)
Affinity DataIC50: 556nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32835(MLS000544330 | cid_5219869 | methyl 1-(4-methylben...)
Affinity DataIC50: 2.22E+3nMpH: 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