BDBM32700 2-[5-(3-Amino-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-cyclohexyl-acetamide::2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide::2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide::2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide::2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide::MLS000528710::SMR000121185::cid_892974

SMILES Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc(N)c1

InChI Key InChIKey=AWUPSQPXUIPKIA-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 = 32700   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32700(2-[5-(3-Amino-phenyl)-4-methyl-4H-[1,2,4]triazol-3...)
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
LigandPNGBDBM32700(2-[5-(3-Amino-phenyl)-4-methyl-4H-[1,2,4]triazol-3...)
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