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BDBM50263734 CHEMBL4066430

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

InChI Key: InChIKey=YNYLXMWTWNMPIW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50263734   
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))		BDBM50263734
PNG
(CHEMBL4066430)
Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(c(CO)c1)C(F)(F)F |(23.43,-12.39,;22.18,-13.29,;22.18,-14.83,;20.71,-15.3,;20.23,-16.77,;19.81,-14.05,;20.71,-12.81,;20.24,-11.35,;21.15,-10.1,;20.25,-8.85,;20.73,-7.38,;19.7,-6.24,;18.78,-9.32,;18.77,-10.86,;17.44,-11.63,;16.11,-10.86,;14.77,-11.62,;16.11,-9.31,;17.45,-8.55,;17.46,-7.01,;18.26,-14.06,;17.5,-12.72,;15.95,-12.71,;15.18,-14.04,;15.95,-15.38,;15.17,-16.72,;13.63,-16.71,;17.49,-15.39,;13.63,-14.03,;13.62,-15.57,;12.3,-14.8,;12.87,-12.7,)|
Show InChI InChI=1S/C20H19F3N6O3/c1-9-15(18-25-14(8-31)17-19(32)24-10(2)27-29(17)18)16(28(3)26-9)11-4-5-13(20(21,22)23)12(6-11)7-30/h4-6,30-31H,7-8H2,1-3H3,(H,24,27,32)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 20n/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