BDBM45683 (2S)-2-[[4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenyl-acetic acid::(2S)-2-[[4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]carbonylamino]-2-phenyl-ethanoic acid::(2S)-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid::(2S)-2-[[oxo-[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexyl]methyl]amino]-2-phenylacetic acid::(S)-{[4-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-ylmethyl)-cyclohexanecarbonyl]-amino}-phenyl-acetic acid::MLS000777215::SMR000413610::cid_8027721

SMILES O=C(N[C@H](C(=O)O)c1ccccc1)C1CCC(Cn2nnc3ccccc3c2=O)CC1

InChI Key InChIKey=HCALKPNAORYWSW-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 = 45683   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45683BDBM45683(SMR000413610 | cid_8027721 | MLS000777215 | (S)-{[...)
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