BDBM45331 (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-methyl-valeric acid methyl ester::(2S)-2-[[(4-acetylanilino)-oxomethyl]amino]-3-methylpentanoic acid methyl ester::MLS000081001::SMR000045398::cid_664498::methyl (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-methylpentanoate::methyl (2S)-2-[(4-ethanoylphenyl)carbamoylamino]-3-methyl-pentanoate

SMILES CCC(C)[C@H](NC(=O)Nc1ccc(cc1)C(C)=O)C(=O)OC

InChI Key InChIKey=MOBYMHLXDFGHEO-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 = 45331   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45331BDBM45331(methyl (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-m...)
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