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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

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 225242   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225242
PNG
(2-Methoxy-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesu...)
Show 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
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.53E+4n/an/an/an/a8.525



Shenyang Pharmaceutical University



Assay 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...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 225242
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Phospholipase C-γ1 SH2 domain (PLCC)

(Homo sapiens (Human))
BDBM225242
JPEG
(2-Methoxy-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesu...)
GoogleScholar
PDB
KEGG
PC cid
PC sid
-12.1-1.30-6.698.867.4025



University of Colorado Boulder





Biochemistry 56: 2225-2237 (2017)

Phospholipase C-γ1 SH2 domain (PLCC_R716E)

(Homo sapiens (Human))
BDBM225242
JPEG
(2-Methoxy-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesu...)
GoogleScholar
PDB
KEGG
PC cid
PC sid
-10.6n/an/a7.757.4025



University of Colorado Boulder





Biochemistry 56: 2225-2237 (2017)