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BDBM50263793 CHEMBL4073753

SMILES: Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=CRZDNDCZBSSJKK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50263793   
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))		BDBM50263793
PNG
(CHEMBL4073753)
Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(Cl)cc1 |(27.11,-16.14,;25.87,-17.05,;25.88,-18.59,;24.41,-19.07,;23.94,-20.54,;23.5,-17.82,;24.4,-16.58,;23.92,-15.11,;24.82,-13.86,;23.91,-12.62,;24.39,-11.16,;25.9,-10.84,;22.45,-13.1,;22.46,-14.64,;21.12,-15.42,;19.79,-14.65,;18.46,-15.42,;19.78,-13.11,;21.12,-12.34,;21.11,-10.8,;21.96,-17.83,;21.19,-16.5,;19.65,-16.51,;18.88,-17.84,;17.34,-17.85,;19.66,-19.17,;21.2,-19.16,)|
Show InChI InChI=1S/C18H17ClN6O2/c1-9-14(15(24(3)22-9)11-4-6-12(19)7-5-11)17-21-13(8-26)16-18(27)20-10(2)23-25(16)17/h4-7,26H,8H2,1-3H3,(H,20,23,27)
PDB

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PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.920n/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