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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Class I phosphodiesterase B1 (TbrPDEB1)' and Ligand = 'BDBM153391'   
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
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM153391
PNG
(3-(3-carbamoyl-4-(3-methoxyphenylamino)-8-methylqu...)
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(O)=O)C(N)=O)c1
Show InChI InChI=1S/C25H21N3O6S/c1-14-9-19(35(32,33)18-8-3-5-15(10-18)25(30)31)12-20-22(14)27-13-21(24(26)29)23(20)28-16-6-4-7-17(11-16)34-2/h3-13H,1-2H3,(H2,26,29)(H,27,28)(H,30,31)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/an/an/an/a7.4n/a



Northeastern University



Assay Description
In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25ÁM cAMP (Enzo Lifesci...


Chem Biol Drug Des 85: 549-64 (2015)


Article DOI: 10.1111/cbdd.12443
BindingDB Entry DOI: 10.7270/Q2FF3R28
More data for this
Ligand-Target Pair