BDBM55959 4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-{(3,4-dimethyl-phenyl)-[(2-methoxy-ethylcarbamoyl)-(5-methyl-furan-2-yl)-methyl]-amide}::4-amino-5-N-(3,4-dimethylphenyl)-5-N-[2-(2-methoxyethylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide::4-amino-N'-(3,4-dimethylphenyl)-N'-[2-keto-2-(2-methoxyethylamino)-1-(5-methyl-2-furyl)ethyl]isothiazole-3,5-dicarboxamide::4-amino-N5-(3,4-dimethylphenyl)-N5-[2-(2-methoxyethylamino)-1-(5-methyl-2-furanyl)-2-oxoethyl]isothiazole-3,5-dicarboxamide::4-azanyl-N5-(3,4-dimethylphenyl)-N5-[2-(2-methoxyethylamino)-1-(5-methylfuran-2-yl)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide::MLS000073177::SMR000003483::cid_646822

SMILES COCCNC(=O)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1)c1ccc(C)o1

InChI Key InChIKey=REYFWBKCYFIDKI-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 = 55959   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM55959(SMR000003483 | MLS000073177 | 4-azanyl-N5-(3,4-dim...)
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