BDBM45514 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid ethyl ester;bromide::3-Ethoxycarbonylmethyl-5-methoxy-2-methyl-benzothiazol-3-ium::MLS000568400::SMR000175203::cid_11957310::ethyl 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)acetate;bromide::ethyl 2-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanoate;bromide

SMILES CCOC(=O)C[n+]1c(C)sc2ccc(OC)cc12

InChI Key InChIKey=HXZISDJOJKSRSG-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 = 45514   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45514(cid_11957310 | 3-Ethoxycarbonylmethyl-5-methoxy-2-...)
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