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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphodiesterase' and Ligand = 'BDBM50453171'   
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)		BDBM50453171
PNG
(CHEMBL4202975)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(N)=O |r,c:3,9|
Show InChI InChI=1S/C29H33N3O3/c1-35-26-17-16-21(18-25(26)19-12-14-20(15-13-19)28(30)33)27-23-10-6-7-11-24(23)29(34)32(31-27)22-8-4-2-3-5-9-22/h6-7,12-18,22-24H,2-5,8-11H2,1H3,(H2,30,33)/t23-,24+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 158n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay

J Med Chem 61: 3870-3888 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01670
BindingDB Entry DOI: 10.7270/Q2P84FF9
More data for this
Ligand-Target Pair