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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-VFYBAAPJNA-N

Data: 1 IC50  1 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 = 225245   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225245
PNG
(4-Fluoro-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesul...)
Show 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
Show InChI InChI=1/C56H76N11O22PS2/c1-30(68)48(55(83)63-37(19-21-91-2)51(79)66-42(56(84)85)26-47(75)76)67-52(80)38(20-22-92-3)62-53(81)40(25-32-9-13-34(69)14-10-32)61-45(72)29-59-49(77)39(24-33-11-15-35(16-12-33)89-90(86,87)88)64-54(82)41(23-31-7-5-4-6-8-31)65-50(78)36(17-18-46(73)74)60-44(71)28-58-43(70)27-57/h4-16,30,36-42,48,68-69H,17-29,57H2,1-3H3,(H,58,70)(H,59,77)(H,60,71)(H,61,72)(H,62,81)(H,63,83)(H,64,82)(H,65,78)(H,66,79)(H,67,80)(H,73,74)(H,75,76)(H,84,85)(H2,86,87,88)/t30-,36+,37+,38+,39+,40+,41+,42+,48+/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.00E+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 1 hit for monomerid = 225245
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))
BDBM225245
JPEG
(4-Fluoro-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesul...)
GoogleScholar
PDB
KEGG
PC cid
PC sid
-10.5-5.52-0.9967.727.4025



University of Colorado Boulder





Biochemistry 56: 2225-2237 (2017)