BDBM45730 (2S)-2-amino-4-methyl-N'-[(Z)-(4-methyl-2,6-dioxo-5-pyrimidinylidene)methyl]pentanehydrazide;hydrochloride::(2S)-2-amino-4-methyl-N'-[(Z)-(4-methyl-2,6-dioxopyrimidin-5-ylidene)methyl]pentanehydrazide;hydrochloride::(2S)-2-amino-N'-[(Z)-(2,6-diketo-4-methyl-pyrimidin-5-ylidene)methyl]-4-methyl-valerohydrazide;hydrochloride::(2S)-2-azanyl-4-methyl-N'-[(Z)-[4-methyl-2,6-bis(oxidanylidene)pyrimidin-5-ylidene]methyl]pentanehydrazide;hydrochloride::(S)-2-Amino-4-methyl-pentanoic acid [1-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-meth-(E)-ylidene]-hydrazide::MLS000778747::SMR000415525::cid_16682716

SMILES CC(C)C[C@H](N)C(=O)NN=Cc1c(C)[nH]c(=O)[nH]c1=O

InChI Key InChIKey=RVTVSPNKORDQPQ-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 45730   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45730(SMR000415525 | MLS000778747 | (2S)-2-azanyl-4-meth...)
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