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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 = 'BDBM50415001'   
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)
BDBM50415001
PNG
(CHEMBL570015 | GSK-256066 | GSK-256066 (3))
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30)
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PC sid
PDB
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Similars

Article
PubMed
n/an/a 2.40E+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