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SMILES: COc1ccc(cc1OCCCCOc1ccc(cc1)C#N)[C@]1(CC[C@@H](CC1)C(O)=O)C#N

InChI Key: InChIKey=IOTIJAMVAISEKW-AEEMYVKYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058067   
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)		BDBM50058067
PNG
(CHEMBL3323130)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)C#N)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:25.30,22.33,(30.62,-25.52,;30.62,-23.98,;31.95,-23.21,;33.29,-23.98,;34.63,-23.21,;34.62,-21.66,;33.28,-20.9,;31.96,-21.67,;30.62,-20.9,;30.62,-19.36,;29.29,-18.59,;29.29,-17.05,;27.95,-16.28,;26.62,-17.05,;25.29,-16.28,;25.29,-14.74,;23.96,-13.97,;22.62,-14.74,;22.63,-16.29,;23.96,-17.05,;21.29,-13.97,;19.95,-13.21,;35.95,-20.89,;37.28,-21.66,;38.61,-20.89,;38.61,-19.35,;37.28,-18.58,;35.94,-19.35,;39.95,-18.57,;41.28,-19.34,;39.95,-17.03,;35.94,-22.42,;35.93,-23.96,)|
Show InChI InChI=1S/C26H28N2O5/c1-31-23-9-6-21(26(18-28)12-10-20(11-13-26)25(29)30)16-24(23)33-15-3-2-14-32-22-7-4-19(17-27)5-8-22/h4-9,16,20H,2-3,10-15H2,1H3,(H,29,30)/t20-,26-
PDB

UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.60E+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