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SMILES: Cc1n[nH]c(c1-c1nc(C(F)F)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=KTTOSMPSKFXDGC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50263752   
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))		BDBM50263752
PNG
(CHEMBL4092829)
Show SMILES Cc1n[nH]c(c1-c1nc(C(F)F)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(26.88,-15.97,;25.65,-16.89,;25.67,-18.43,;24.22,-18.93,;23.29,-17.7,;24.18,-16.44,;23.68,-14.98,;24.56,-13.72,;23.64,-12.49,;24.09,-11.02,;23.1,-9.84,;25.6,-10.75,;22.18,-12.99,;22.2,-14.53,;20.88,-15.33,;19.54,-14.58,;18.22,-15.37,;19.51,-13.03,;20.83,-12.25,;20.81,-10.71,;21.75,-17.73,;21.01,-19.07,;19.47,-19.1,;18.67,-17.78,;19.42,-16.43,;20.96,-16.41,;17.13,-17.8,;16.72,-19.28,;15.64,-18.19,;16.34,-16.49,)|
Show InChI InChI=1S/C18H13F5N6O/c1-7-11(12(27-26-7)9-3-5-10(6-4-9)18(21,22)23)16-25-13(15(19)20)14-17(30)24-8(2)28-29(14)16/h3-6,15H,1-2H3,(H,26,27)(H,24,28,30)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.230n/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