BDBM33762 3-(N-besyl-4-methyl-anilino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propionamide::3-[N-(benzenesulfonyl)-4-methylanilino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide::MLS000409214::N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)-(phenylsulfonyl)amino]propanamide::SMR000243607::cid_2571426

SMILES CCc1nnc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)s1

InChI Key InChIKey=HEZCJEAHEREQGI-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 33762   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33762(MLS000409214 | cid_2571426 | N-(5-ethyl-1,3,4-thia...)
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
TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33762(MLS000409214 | cid_2571426 | N-(5-ethyl-1,3,4-thia...)
Affinity DataIC50: 5.00E+4nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay