BDBM32969 1-(4-ethoxyphenyl)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]guanidine::1-(4-ethoxyphenyl)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]guanidine::1-(4-ethoxyphenyl)-2-[6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]guanidine::2-[4-keto-6-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-1H-pyrimidin-2-yl]-1-p-phenetyl-guanidine::MLS000778372::N-(4-Ethoxy-phenyl)-N'-[6-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanylmethyl)-4-oxo-1,4-dihydro-pyrimidin-2-y l]-guanidine::SMR000415166::cid_5585256

SMILES CCOc1ccc(N=C(N)Nc2nc(CSc3nnc(C)s3)cc(=O)[nH]2)cc1

InChI Key InChIKey=UAXHXLMDNJWYMK-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 32969   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 32969BDBM32969(N-(4-Ethoxy-phenyl)-N'-[6-(5-methyl-[1,3,4]thi...)
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:
5/27/2011
Entry Details
PCBioAssay
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 32969BDBM32969(N-(4-Ethoxy-phenyl)-N'-[6-(5-methyl-[1,3,4]thi...)
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:
6/8/2011
Entry Details
PCBioAssay
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 32969BDBM32969(N-(4-Ethoxy-phenyl)-N'-[6-(5-methyl-[1,3,4]thi...)
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