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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 = 'BDBM94896'   
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))
BDBM94896
PNG
(3-(4-chlorophenyl)-N-methyl-5-triazolo[1,5-a]quina...)
Show SMILES CNc1nc2c(nnn2c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN5/c1-18-15-12-4-2-3-5-13(12)22-16(19-15)14(20-21-22)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.14E+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))
BDBM94896
PNG
(3-(4-chlorophenyl)-N-methyl-5-triazolo[1,5-a]quina...)
Show SMILES CNc1nc2c(nnn2c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN5/c1-18-15-12-4-2-3-5-13(12)22-16(19-15)14(20-21-22)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.11E+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