BDBM32681 1-Benzyl-5-[3-(3,5-dimethyl-pyrazol-1-yl)-2-hydroxy-propoxy]-2-methyl-1H-indole-3-carboxylic acid ethyl ester::1-benzyl-5-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]-2-methyl-indole-3-carboxylic acid ethyl ester::5-[3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester::MLS000121399::SMR000118803::cid_2920584::ethyl 1-benzyl-5-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-2-methylindole-3-carboxylate::ethyl 5-[3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(phenylmethyl)indole-3-carboxylate

SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)Cn3nc(C)cc3C)cc12

InChI Key InChIKey=BXPZTXRUOVIUGB-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 = 32681   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32681(MLS000121399 | ethyl 1-benzyl-5-[3-(3,5-dimethylpy...)
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
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32681(MLS000121399 | ethyl 1-benzyl-5-[3-(3,5-dimethylpy...)
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