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SMILES: CCOC(=O)CC1(CCCCC1)NC(=O)c1cc(COc2cncc(Cl)c2)on1

InChI Key: InChIKey=ZHQIQRVEYZPPNR-UHFFFAOYSA-N

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 = 74537   
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))
BDBM74537
PNG
(2-[1-[[5-[(5-chloro-3-pyridyl)oxymethyl]isoxazole-...)
Show SMILES CCOC(=O)CC1(CCCCC1)NC(=O)c1cc(COc2cncc(Cl)c2)on1
Show InChI InChI=1S/C20H24ClN3O5/c1-2-27-18(25)10-20(6-4-3-5-7-20)23-19(26)17-9-16(29-24-17)13-28-15-8-14(21)11-22-12-15/h8-9,11-12H,2-7,10,13H2,1H3,(H,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

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))
BDBM74537
PNG
(2-[1-[[5-[(5-chloro-3-pyridyl)oxymethyl]isoxazole-...)
Show SMILES CCOC(=O)CC1(CCCCC1)NC(=O)c1cc(COc2cncc(Cl)c2)on1
Show InChI InChI=1S/C20H24ClN3O5/c1-2-27-18(25)10-20(6-4-3-5-7-20)23-19(26)17-9-16(29-24-17)13-28-15-8-14(21)11-22-12-15/h8-9,11-12H,2-7,10,13H2,1H3,(H,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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))
BDBM74537
PNG
(2-[1-[[5-[(5-chloro-3-pyridyl)oxymethyl]isoxazole-...)
Show SMILES CCOC(=O)CC1(CCCCC1)NC(=O)c1cc(COc2cncc(Cl)c2)on1
Show InChI InChI=1S/C20H24ClN3O5/c1-2-27-18(25)10-20(6-4-3-5-7-20)23-19(26)17-9-16(29-24-17)13-28-15-8-14(21)11-22-12-15/h8-9,11-12H,2-7,10,13H2,1H3,(H,23,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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