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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 = 'BDBM94888'   
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))
BDBM94888
PNG
((2-phenyl-4-quinolyl)-(2-piperidinoethyl)amine | 2...)
Show SMILES C(CN1CCCCC1)Nc1cc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H25N3/c1-3-9-18(10-4-1)21-17-22(19-11-5-6-12-20(19)24-21)23-13-16-25-14-7-2-8-15-25/h1,3-6,9-12,17H,2,7-8,13-16H2,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.49E+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))
BDBM94888
PNG
((2-phenyl-4-quinolyl)-(2-piperidinoethyl)amine | 2...)
Show SMILES C(CN1CCCCC1)Nc1cc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H25N3/c1-3-9-18(10-4-1)21-17-22(19-11-5-6-12-20(19)24-21)23-13-16-25-14-7-2-8-15-25/h1,3-6,9-12,17H,2,7-8,13-16H2,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.80E+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