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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serum paraoxonase/arylesterase 1' and Ligand = 'BDBM36351'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM36351
PNG
(CID148124 | Docetaxel)
Show SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C
Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
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Similars

Article
PubMed
2.91E+5n/a 6.65E+5n/an/an/an/a10.5n/a



Ahi Evran University



Assay Description
Paraoxonase enzyme activity was determined at 25 C with paraoxon (1 mM) in 50 mM glycine-NaOH (pH 10.5) containing 1 mM CaCl2. The enzyme assay was ...


Chem Biol Drug Des 88: 188-96 (2016)


Article DOI: 10.1111/cbdd.12746
BindingDB Entry DOI: 10.7270/Q2SB44JJ
More data for this
Ligand-Target Pair