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BDBM50263754 CHEMBL4100565

SMILES: Cc1nc(-c2c(CO)nn(C)c2-c2ccc(Cl)cc2)n2nc(C)[nH]c(=O)c12

InChI Key: InChIKey=NZIOLDXYBCNABG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50263754   
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
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))		BDBM50263754
PNG
(CHEMBL4100565)
Show SMILES Cc1nc(-c2c(CO)nn(C)c2-c2ccc(Cl)cc2)n2nc(C)[nH]c(=O)c12 |(26.26,-9.92,;25.78,-11.39,;26.7,-12.62,;25.8,-13.88,;26.28,-15.34,;27.74,-15.81,;28.99,-14.9,;30.4,-15.52,;27.75,-17.35,;26.29,-17.83,;25.82,-19.3,;25.38,-16.59,;23.84,-16.59,;23.06,-15.26,;21.52,-15.27,;20.76,-16.6,;19.22,-16.61,;21.53,-17.93,;23.07,-17.93,;24.33,-13.41,;23,-14.18,;21.67,-13.41,;20.33,-14.19,;21.66,-11.87,;22.99,-11.1,;22.98,-9.56,;24.32,-11.87,)|
Show InChI InChI=1S/C18H17ClN6O2/c1-9-15-18(27)21-10(2)22-25(15)17(20-9)14-13(8-26)23-24(3)16(14)11-4-6-12(19)7-5-11/h4-7,26H,8H2,1-3H3,(H,21,22,27)
PDB

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Similars
Article
PubMed
n/an/a 28n/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