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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 = 'BDBM50117731'   
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))		BDBM50117731
PNG
(3-Isobutyl-1-methyl-8-(2-propoxy-phenyl)-3,7-dihyd...)
Show SMILES CCCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C19H24N4O3/c1-5-10-26-14-9-7-6-8-13(14)16-20-15-17(21-16)23(11-12(2)3)19(25)22(4)18(15)24/h6-9,12H,5,10-11H2,1-4H3,(H,20,21)
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n/an/a 60n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)

Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair