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BDBM50058061 CHEMBL3323127

SMILES: COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nn[nH]n1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N

InChI Key: InChIKey=OTLGXZUSDAODEG-KQODVJPSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058061   
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)		BDBM50058061
PNG
(CHEMBL3323127)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nn[nH]n1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:28.34,25.37,(12.65,-15.01,;12.65,-13.47,;13.99,-12.7,;15.32,-13.47,;16.66,-12.7,;16.65,-11.15,;15.32,-10.38,;13.99,-11.15,;12.66,-10.38,;12.65,-8.84,;11.32,-8.07,;11.32,-6.53,;9.99,-5.76,;8.65,-6.53,;7.32,-5.76,;7.33,-4.22,;5.99,-3.45,;4.66,-4.23,;4.66,-5.77,;6,-6.54,;3.33,-3.45,;1.92,-4.08,;.89,-2.94,;1.66,-1.6,;3.16,-1.92,;17.98,-10.37,;19.32,-11.14,;20.64,-10.37,;20.64,-8.83,;19.31,-8.06,;17.97,-8.83,;21.98,-8.06,;23.31,-8.83,;21.98,-6.52,;17.97,-11.91,;17.96,-13.44,)|
Show InChI InChI=1S/C26H29N5O5/c1-34-22-9-6-20(26(17-27)12-10-19(11-13-26)25(32)33)16-23(22)36-15-3-2-14-35-21-7-4-18(5-8-21)24-28-30-31-29-24/h4-9,16,19H,2-3,10-15H2,1H3,(H,32,33)(H,28,29,30,31)/t19-,26-
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.90E+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