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BDBM74448 4-[4-(4-Chloro-benzenesulfonyl)-2-isobutyl-oxazol-5-yl]-morpholine::4-[4-(4-chlorophenyl)sulfonyl-2-(2-methylpropyl)-1,3-oxazol-5-yl]morpholine::4-[4-(4-chlorophenyl)sulfonyl-2-(2-methylpropyl)-5-oxazolyl]morpholine::4-[4-(4-chlorophenyl)sulfonyl-2-isobutyl-oxazol-5-yl]morpholine::MLS000071591::SMR000012142::cid_654847

SMILES: CC(C)Cc1nc(c(o1)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=NAINPQPZTTYFPH-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 = 74448   
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))
BDBM74448
PNG
(4-[4-(4-Chloro-benzenesulfonyl)-2-isobutyl-oxazol-...)
Show SMILES CC(C)Cc1nc(c(o1)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H21ClN2O4S/c1-12(2)11-15-19-16(17(24-15)20-7-9-23-10-8-20)25(21,22)14-5-3-13(18)4-6-14/h3-6,12H,7-11H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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))
BDBM74448
PNG
(4-[4-(4-Chloro-benzenesulfonyl)-2-isobutyl-oxazol-...)
Show SMILES CC(C)Cc1nc(c(o1)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H21ClN2O4S/c1-12(2)11-15-19-16(17(24-15)20-7-9-23-10-8-20)25(21,22)14-5-3-13(18)4-6-14/h3-6,12H,7-11H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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))
BDBM74448
PNG
(4-[4-(4-Chloro-benzenesulfonyl)-2-isobutyl-oxazol-...)
Show SMILES CC(C)Cc1nc(c(o1)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H21ClN2O4S/c1-12(2)11-15-19-16(17(24-15)20-7-9-23-10-8-20)25(21,22)14-5-3-13(18)4-6-14/h3-6,12H,7-11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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