BDBM45702 3-Acetyl-4-(3,4-dimethoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester::3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester::3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester::MLS001044318::SMR000424948::cid_3096985::ethyl 3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate::ethyl 4-(3,4-dimethoxyphenyl)-3-ethanoyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate

SMILES CCOC(=O)C1=C(C)NC(=S)N(C1c1ccc(OC)c(OC)c1)C(C)=O

InChI Key InChIKey=DQTWGDAVOCNYMX-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 45702   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45702BDBM45702(3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfan...)
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 XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45702BDBM45702(3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfan...)
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