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SMILES: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(cc2CCOc12)S(=O)(=O)N1CCN(C)CC1

InChI Key: InChIKey=JGLHNZQSQGEHCI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50411584   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50411584
PNG
(CHEMBL245389)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(cc2CCOc12)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H28N6O4S/c1-4-5-17-18-19(27(3)25-17)22(29)24-21(23-18)16-13-15(12-14-6-11-32-20(14)16)33(30,31)28-9-7-26(2)8-10-28/h12-13H,4-11H2,1-3H3,(H,23,24,29)
PDB
MMDB

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n/an/a 239n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 17: 4271-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.064
BindingDB Entry DOI: 10.7270/Q289172C
More data for this
Ligand-Target Pair