BDBM225242 2-Methoxy-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesulfonamide (3)::ErbB2-pep

SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O

InChI Key

Data  1 IC50  2 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 = 225242   

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

LigandPNGBDBM225242(2-Methoxy-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesu...)
Affinity DataIC50:  1.53E+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
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 225242   

CellPhospholipase C-γ1 SH2 domain (PLCC)(Homo sapiens (Human))
University Of Colorado Boulder

SyringePNGBDBM225242(2-Methoxy-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesu...)
ITC DataΔG°: -12.1kcal/mole −TΔS°: -1.30kcal/mole ΔH°: -6.69kcal/mole logk: 7.19E+8
pH: 7.4 T: 25.00°C 
Syringe InfoKEGGPC cidPC sid
CellPhospholipase C-γ1 SH2 domain (PLCC_R716E)(Homo sapiens (Human))
University Of Colorado Boulder

SyringePNGBDBM225242(2-Methoxy-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesu...)
ITC DataΔG°: -10.6kcal/mole logk: 5.59E+7
pH: 7.4 T: 25.00°C 
Syringe InfoKEGGPC cidPC sid