BDBM225243 IR-pep::N-(2-Phenyl-1H-1l3-benzo[d]oxazol-6-yl)-4-(trifluoromethyl)benzenesulfonamide (4)

SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key

Data  1 IC50  2 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 225243   

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

LigandPNGBDBM225243(IR-pep | N-(2-Phenyl-1H-1l3-benzo[d]oxazol-6-yl)-4...)
Affinity DataIC50:  2.62E+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 = 225243   

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

SyringePNGBDBM225243(IR-pep | N-(2-Phenyl-1H-1l3-benzo[d]oxazol-6-yl)-4...)
ITC DataΔG°: -11.6kcal/mole −TΔS°: -3.97kcal/mole ΔH°: -3.56kcal/mole logk: 3.12E+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

SyringePNGBDBM225243(IR-pep | N-(2-Phenyl-1H-1l3-benzo[d]oxazol-6-yl)-4...)
ITC DataΔG°: -9.13kcal/mole logk: 5.00E+6
pH: 7.4 T: 25.00°C 
Syringe InfoKEGGPC cidPC sid