BDBM45387 2-[(2-amino-2-oxoethyl)thio]-N-(3,4-dimethylphenyl)acetamide::2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide::2-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanamide::2-[[2-(3,4-dimethylanilino)-2-keto-ethyl]thio]acetamide::2-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]acetamide::MLS000051968::SMR000081178::cid_1249855

SMILES Cc1ccc(NC(=O)CSCC(N)=O)cc1C

InChI Key InChIKey=AKHAZTNCFSWKCN-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 = 45387   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45387BDBM45387(SMR000081178 | 2-[2-[(3,4-dimethylphenyl)amino]-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:
6/8/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45387BDBM45387(SMR000081178 | 2-[2-[(3,4-dimethylphenyl)amino]-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