BDBM40349 2-[[4-allyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(1,1-diketothiolan-3-yl)-N-methyl-acetamide::MLS000058718::N-(1,1-dioxo-3-thiolanyl)-2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-methylacetamide::N-(1,1-dioxothiolan-3-yl)-2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide::N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[[5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide::SMR000067223::cid_2999475

SMILES CCc1ccc(OCc2nnc(SCC(=O)N(C)C3CCS(=O)(=O)C3)n2CC=C)cc1

InChI Key InChIKey=ZXLJWXPMNKGASO-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40349   

TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM40349(2-[[4-allyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triaz...)
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 DepthDetails PCBioAssay