BDBM32746 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone::1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone::1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone::MLS000566135::SMR000153346::cid_2090286

SMILES CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccccc1

InChI Key InChIKey=DFSYAUPSAYVWNE-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 = 32746   

TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32746(1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-eth...)
Affinity DataIC50:  7.44E+3nMAssay 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 DepthDetails PCBioAssay
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32746(1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-eth...)
Affinity DataIC50:  7.44E+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 DepthDetails PCBioAssay