BDBM45513 3-methylbenzoic acid [(7,7-diketo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] ester::3-methylbenzoic acid [(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] ester::4-{[(3-methylbenzoyl)oxy]imino}-3,4-dihydro-1lambda~6~-thieno[2,3-b]thiopyran-1,1(2H)-dione::MLS000326524::SMR000179128::[(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 3-methylbenzoate::[[7,7-bis(oxidanylidene)-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene]amino] 3-methylbenzoate::cid_1480156

SMILES Cc1cccc(c1)C(=O)ON=C1CCS(=O)(=O)c2sccc12

InChI Key InChIKey=NTMKNFQVFJKHQJ-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 45513   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45513BDBM45513(3-methylbenzoic acid [(7,7-dioxo-5,6-dihydrothieno...)
Affinity DataIC50: 3.62E+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