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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 = 'BDBM153403'   
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)
BDBM153403
PNG
(Methyl 3-(4-(benzylamino)-3-carbamoyl-8-methylquin...)
Show SMILES COC(=O)c1cccc(c1)-c1cc(C)c2ncc(C(N)=O)c(NCc3ccccc3)c2c1
Show InChI InChI=1S/C26H23N3O3/c1-16-11-20(18-9-6-10-19(12-18)26(31)32-2)13-21-23(16)29-15-22(25(27)30)24(21)28-14-17-7-4-3-5-8-17/h3-13,15H,14H2,1-2H3,(H2,27,30)(H,28,29)
PDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+4n/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