BDBM225245 4-Fluoro-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesulfonamide (6)::IRS2-pep

SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI Key InChIKey=LCSLFMJXJQHHGB-UHFFFAOYSA-N

Data  1 IC50  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 225245   

TargetHistone-lysine N-methyltransferase EHMT2(Human)
Shenyang Pharmaceutical University

LigandPNGBDBM225245(IRS2-pep | 4-Fluoro-N-(2-phenylbenzo[d]oxazol-6-yl...)
Affinity DataIC50: 4.00E+4nMpH: 8.5 T: 2°CAssay Description:Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2017
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 225245   

CellPhospholipase C-γ1 SH2 domain (PLCC)(Human)
University of Colorado Boulder

SyringePNGBDBM225245(IRS2-pep | 4-Fluoro-N-(2-phenylbenzo[d]oxazol-6-yl...)
ITC DataΔG°: -10.5kcal/mole −TΔS°: -5.52kcal/mole ΔH°: -0.996kcal/mole logk: 5.21E+7
pH: 7.4 T: 25.00°C