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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50525062'   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50525062
PNG
(CHEMBL4440789)
Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(CC)c(=O)[nH]1)S(=O)(=O)NCCC(O)=O
Show InChI InChI=1S/C20H27N3O6S/c1-4-11-29-17-8-7-13(30(27,28)21-10-9-18(24)25)12-15(17)19-22-16(6-3)14(5-2)20(26)23-19/h7-8,12,21H,4-6,9-11H2,1-3H3,(H,24,25)(H,22,23,26)
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Article
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n/an/a 1.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc...

J Med Chem 62: 4979-4990 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00123
BindingDB Entry DOI: 10.7270/Q2T72MWB
More data for this
Ligand-Target Pair