BDBM45312 4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-[(tert-butylcarbamoyl-furan-2-yl-methyl)-(4-methoxy-benzyl)-amide]::4-amino-5-N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide::4-amino-N'-[2-(tert-butylamino)-1-(2-furyl)-2-keto-ethyl]-N'-p-anisyl-isothiazole-3,5-dicarboxamide::4-amino-N5-[2-(tert-butylamino)-1-(2-furanyl)-2-oxoethyl]-N5-[(4-methoxyphenyl)methyl]isothiazole-3,5-dicarboxamide::4-azanyl-N5-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxidanylidene-ethyl]-N5-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide::MLS000030773::SMR000002678::cid_655189

SMILES COc1ccc(CN(C(C(=O)NC(C)(C)C)c2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1

InChI Key InChIKey=YFICKPRRHYSSLF-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 = 45312   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45312BDBM45312(4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide ...)
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