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BDBM74526 2-[4-(2,5-dimethylbenzyl)-3-keto-1,4-benzoxazine-6-carbonyl]benzoic acid::2-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbonyl]benzoic acid::2-[[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]carbonyl]benzoic acid::2-[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]-oxomethyl]benzoic acid::2-{[4-(2,5-dimethylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]carbonyl}benzenecarboxylic acid::MLS000736387::SMR000338337::cid_5204135

SMILES: Cc1ccc(C)c(CN2C(=O)COc3ccc(cc23)C(=O)c2ccccc2C(O)=O)c1

InChI Key: InChIKey=QEFSFDLLHLAHIG-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 74526   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74526
PNG
(2-[4-(2,5-dimethylbenzyl)-3-keto-1,4-benzoxazine-6...)
Show SMILES Cc1ccc(C)c(CN2C(=O)COc3ccc(cc23)C(=O)c2ccccc2C(O)=O)c1
Show InChI InChI=1S/C25H21NO5/c1-15-7-8-16(2)18(11-15)13-26-21-12-17(9-10-22(21)31-14-23(26)27)24(28)19-5-3-4-6-20(19)25(29)30/h3-12H,13-14H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74526
PNG
(2-[4-(2,5-dimethylbenzyl)-3-keto-1,4-benzoxazine-6...)
Show SMILES Cc1ccc(C)c(CN2C(=O)COc3ccc(cc23)C(=O)c2ccccc2C(O)=O)c1
Show InChI InChI=1S/C25H21NO5/c1-15-7-8-16(2)18(11-15)13-26-21-12-17(9-10-22(21)31-14-23(26)27)24(28)19-5-3-4-6-20(19)25(29)30/h3-12H,13-14H2,1-2H3,(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM74526
PNG
(2-[4-(2,5-dimethylbenzyl)-3-keto-1,4-benzoxazine-6...)
Show SMILES Cc1ccc(C)c(CN2C(=O)COc3ccc(cc23)C(=O)c2ccccc2C(O)=O)c1
Show InChI InChI=1S/C25H21NO5/c1-15-7-8-16(2)18(11-15)13-26-21-12-17(9-10-22(21)31-14-23(26)27)24(28)19-5-3-4-6-20(19)25(29)30/h3-12H,13-14H2,1-2H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair