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SMILES: COc1ccc(cc1OCc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N

InChI Key: InChIKey=TYJCNJFXIUGDOD-VVOJOOEHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058060   
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)		BDBM50058060
PNG
(CHEMBL3323123)
Show SMILES COc1ccc(cc1OCc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:19.24,16.27,(6.33,-24.95,;6.33,-23.41,;7.66,-22.65,;9,-23.42,;10.34,-22.64,;10.33,-21.09,;8.99,-20.33,;7.67,-21.1,;6.33,-20.33,;6.33,-18.79,;5,-18.02,;5,-16.48,;3.67,-15.71,;2.33,-16.48,;2.34,-18.03,;3.67,-18.79,;11.66,-20.32,;12.99,-21.09,;14.32,-20.32,;14.32,-18.78,;12.99,-18.01,;11.65,-18.78,;15.66,-18.01,;16.99,-18.78,;15.66,-16.47,;11.65,-21.86,;11.64,-23.39,)|
Show InChI InChI=1S/C22H23NO4/c1-26-19-8-7-18(13-20(19)27-14-16-5-3-2-4-6-16)22(15-23)11-9-17(10-12-22)21(24)25/h2-8,13,17H,9-12,14H2,1H3,(H,24,25)/t17-,22-
PDB

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Article
PubMed
n/an/a 1.20E+4n/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