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SMILES: CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(N=[N+]=[N-])n(Cc3ccc(O)cc3)c2C1=O

InChI Key: InChIKey=MKBCATBOCWBEBI-KGLIPLIRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50140608   
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))		BDBM50140608
PNG
(2-azido-5-ethyl-3-(4-hydroxybenzyl)-(6aR,9aS)-3,4,...)
Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(N=[N+]=[N-])n(Cc3ccc(O)cc3)c2C1=O |t:3|
Show InChI InChI=1S/C19H20N8O2/c1-2-25-17(29)15-16(27-14-5-3-4-13(14)21-19(25)27)22-18(23-24-20)26(15)10-11-6-8-12(28)9-7-11/h6-9,13-14,28H,2-5,10H2,1H3/t13-,14+/m1/s1
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Article
PubMed
n/an/a 0.610n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme

Bioorg Med Chem Lett 14: 1291-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.027
BindingDB Entry DOI: 10.7270/Q2BG2NF0
More data for this
Ligand-Target Pair