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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 = 'BDBM55068'   
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))
BDBM55068
PNG
(2-(4-butoxyphenyl)-1-(2-furanylmethyl)-4-hydroxy-3...)
Show SMILES CCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
Show InChI InChI=1/C25H25NO6/c1-3-4-13-30-18-10-8-17(9-11-18)22-21(23(27)20-12-7-16(2)32-20)24(28)25(29)26(22)15-19-6-5-14-31-19/h5-12,14,21-22H,3-4,13,15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.45E+4n/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))
BDBM55068
PNG
(2-(4-butoxyphenyl)-1-(2-furanylmethyl)-4-hydroxy-3...)
Show SMILES CCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
Show InChI InChI=1/C25H25NO6/c1-3-4-13-30-18-10-8-17(9-11-18)22-21(23(27)20-12-7-16(2)32-20)24(28)25(29)26(22)15-19-6-5-14-31-19/h5-12,14,21-22H,3-4,13,15H2,1-2H3
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