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SMILES: COc1ccc(OCCCCOc2cc(ccc2OC)[C@]2(CC[C@@H](CC2)C(O)=O)C#N)cc1

InChI Key: InChIKey=ZKSBAKDUMFZUDF-KQODVJPSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058066   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Phosphodiesterase


(Trypanosoma brucei)		BDBM50058066
PNG
(CHEMBL3323131)
Show SMILES COc1ccc(OCCCCOc2cc(ccc2OC)[C@]2(CC[C@@H](CC2)C(O)=O)C#N)cc1 |r,wU:23.27,20.30,(.4,-21.91,;.4,-23.45,;1.73,-24.22,;3.07,-23.45,;4.4,-24.22,;4.4,-25.76,;5.73,-26.53,;7.06,-25.76,;8.4,-26.53,;8.4,-28.07,;9.73,-28.84,;9.73,-30.38,;11.07,-31.15,;12.39,-30.38,;13.73,-31.14,;13.73,-32.69,;12.4,-33.47,;11.06,-32.69,;9.73,-33.46,;9.73,-35,;15.06,-30.37,;16.39,-31.14,;17.72,-30.37,;17.72,-28.83,;16.38,-28.06,;15.05,-28.83,;19.06,-28.06,;20.39,-28.83,;19.06,-26.52,;15.05,-31.91,;15.04,-33.44,;3.07,-26.53,;1.74,-25.77,)|
Show InChI InChI=1S/C26H31NO6/c1-30-21-6-8-22(9-7-21)32-15-3-4-16-33-24-17-20(5-10-23(24)31-2)26(18-27)13-11-19(12-14-26)25(28)29/h5-10,17,19H,3-4,11-16H2,1-2H3,(H,28,29)/t19-,26-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition

Bioorg Med Chem Lett 24: 4084-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.063
BindingDB Entry DOI: 10.7270/Q26D5VNC
More data for this
Ligand-Target Pair