new BindingDB logo
myBDB logout

BDBM74454 (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate::(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate::5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester::5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester::MLS000081730::SMR000062942::cid_2998479

SMILES: COc1ccc(cc1C(=O)OCc1c(C)noc1C)S(=O)(=O)N1CCCCCC1

InChI Key: InChIKey=VSAJCXCOANWJHO-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 = 74454   
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))
BDBM74454
PNG
((3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-(azepan-1-y...)
Show SMILES COc1ccc(cc1C(=O)OCc1c(C)noc1C)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C20H26N2O6S/c1-14-18(15(2)28-21-14)13-27-20(23)17-12-16(8-9-19(17)26-3)29(24,25)22-10-6-4-5-7-11-22/h8-9,12H,4-7,10-11,13H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
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)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74454
PNG
((3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-(azepan-1-y...)
Show SMILES COc1ccc(cc1C(=O)OCc1c(C)noc1C)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C20H26N2O6S/c1-14-18(15(2)28-21-14)13-27-20(23)17-12-16(8-9-19(17)26-3)29(24,25)22-10-6-4-5-7-11-22/h8-9,12H,4-7,10-11,13H2,1-3H3
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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM74454
PNG
((3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-(azepan-1-y...)
Show SMILES COc1ccc(cc1C(=O)OCc1c(C)noc1C)S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C20H26N2O6S/c1-14-18(15(2)28-21-14)13-27-20(23)17-12-16(8-9-19(17)26-3)29(24,25)22-10-6-4-5-7-11-22/h8-9,12H,4-7,10-11,13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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