BDBM45332 MLS000041015::N-[3-(4-ethylphenyl)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]butanamide::N-[3-(4-ethylphenyl)-5,5-diketo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-ylidene]butyramide::N-[3-(4-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]butanamide::N-[3-(4-ethylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-ylidene]butanamide::SMR000045827::cid_664826

SMILES CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(CC)cc1

InChI Key InChIKey=OSYCDDDZJMNXHL-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45332   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45332BDBM45332(SMR000045827 | MLS000041015 | N-[3-(4-ethylphenyl)...)
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