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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 = 'BDBM55065'   
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))
BDBM55065
PNG
(3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxa...)
Show SMILES CCCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1cc(C)on1
Show InChI InChI=1S/C25H26N2O6/c1-4-5-6-13-31-18-10-8-17(9-11-18)22-21(23(28)19-12-7-15(2)32-19)24(29)25(30)27(22)20-14-16(3)33-26-20/h7-12,14,21-22H,4-6,13H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.21E+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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM55065
PNG
(3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxa...)
Show SMILES CCCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1cc(C)on1
Show InChI InChI=1S/C25H26N2O6/c1-4-5-6-13-31-18-10-8-17(9-11-18)22-21(23(28)19-12-7-15(2)32-19)24(29)25(30)27(22)20-14-16(3)33-26-20/h7-12,14,21-22H,4-6,13H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+4n/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