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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)' and Ligand = 'BDBM59546'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM59546
PNG
(3-[7-(2-chlorobenzyl)oxy-2-keto-4,8-dimethyl-chrom...)
Show SMILES Cc1c(OCc2ccccc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C21H19ClO5/c1-12-15-7-9-18(26-11-14-5-3-4-6-17(14)22)13(2)20(15)27-21(25)16(12)8-10-19(23)24/h3-7,9H,8,10-11H2,1-2H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.25E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM59546
PNG
(3-[7-(2-chlorobenzyl)oxy-2-keto-4,8-dimethyl-chrom...)
Show SMILES Cc1c(OCc2ccccc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C21H19ClO5/c1-12-15-7-9-18(26-11-14-5-3-4-6-17(14)22)13(2)20(15)27-21(25)16(12)8-10-19(23)24/h3-7,9H,8,10-11H2,1-2H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.36E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair