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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphodiesterase' and Ligand = 'BDBM50453170'   
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)		BDBM50453170
PNG
(CHEMBL4214364)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)NCCOC |r,c:3,9|
Show InChI InChI=1S/C32H39N3O4/c1-38-20-19-33-31(36)23-15-13-22(14-16-23)28-21-24(17-18-29(28)39-2)30-26-11-7-8-12-27(26)32(37)35(34-30)25-9-5-3-4-6-10-25/h7-8,13-18,21,25-27H,3-6,9-12,19-20H2,1-2H3,(H,33,36)/t26-,27+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 316n/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