BDBM225241 3-Nitro-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesulfonamide (2)::MT-pep

SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

InChI Key InChIKey=PDAKWZXYKUNQKV-UHFFFAOYSA-N

Data  1 IC50  2 ITC

  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 = 225241   

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

LigandPNGBDBM225241(MT-pep | 3-Nitro-N-(2-phenylbenzo[d]oxazol-6-yl)be...)
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 2 hits for monomerid = 225241   

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

SyringePNGBDBM225241(MT-pep | 3-Nitro-N-(2-phenylbenzo[d]oxazol-6-yl)be...)
ITC DataΔG°: -12.6kcal/mole −TΔS°: -4.94kcal/mole ΔH°: -3.58kcal/mole logk: 1.79E+9
pH: 7.4 T: 25.00°C 
CellPhospholipase C-γ1 SH2 domain (PLCC_R716E)(Human)
University of Colorado Boulder

SyringePNGBDBM225241(MT-pep | 3-Nitro-N-(2-phenylbenzo[d]oxazol-6-yl)be...)
ITC DataΔG°: -10.7kcal/mole logk: 7.30E+7
pH: 7.4 T: 25.00°C