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SMILES: Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(cn1)C(F)(F)F

InChI Key: InChIKey=FJWHNUHUIHXRPG-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50263777   
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-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50263777
PNG
(CHEMBL4077939)
Show SMILES Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(cn1)C(F)(F)F |(28.74,-15.37,;27.5,-16.28,;27.49,-17.82,;26.03,-18.29,;25.55,-19.75,;25.13,-17.04,;26.03,-15.8,;25.56,-14.33,;26.47,-13.09,;25.57,-11.84,;26.05,-10.38,;24.1,-12.32,;24.1,-13.86,;22.77,-14.62,;21.43,-13.85,;20.1,-14.62,;21.44,-12.31,;22.77,-11.55,;22.77,-10.01,;23.59,-17.04,;22.82,-18.37,;21.28,-18.37,;20.51,-17.03,;21.28,-15.7,;22.82,-15.7,;18.97,-17.03,;18.96,-18.57,;17.63,-17.79,;18.21,-15.69,)|
Show InChI InChI=1S/C18H16F3N7O/c1-8-13(16-23-9(2)14-17(29)24-10(3)26-28(14)16)15(27(4)25-8)12-6-5-11(7-22-12)18(19,20)21/h5-7H,1-4H3,(H,24,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 61: 3626-3640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00116
BindingDB Entry DOI: 10.7270/Q2BV7K2X
More data for this
Ligand-Target Pair