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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphodiesterase' and Ligand = 'BDBM50512614'   
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
Phosphodiesterase


(Trypanosoma brucei)		BDBM50512614
PNG
(CHEMBL4467085)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)C#CC(=O)N1CCOCC1 |r,c:3,9|
Show InChI InChI=1S/C29H35N3O4/c1-35-26-14-12-22(20-21(26)13-15-27(33)31-16-18-36-19-17-31)28-24-10-6-7-11-25(24)29(34)32(30-28)23-8-4-2-3-5-9-23/h6-7,12,14,20,23-25H,2-5,8-11,16-19H2,1H3/t24-,25+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PDEB1 catalytic domain (565 to 918 residues) expressed in Escherichia coli BL21 incubated for 20 mins using cAMP as ...

Bioorg Med Chem 27: 3998-4012 (2019)


Article DOI: 10.1016/j.bmc.2019.06.027
BindingDB Entry DOI: 10.7270/Q23N26QR
More data for this
Ligand-Target Pair