BindingDB logo
myBDB logout

BDBM50263736 CHEMBL4090571

SMILES: Cc1cc(ccc1C(F)(F)F)-c1c(c(CO)nn1C)-c1nc(CO)c2n1nc(C)[nH]c2=O

InChI Key: InChIKey=PATYSVCPSYFQLM-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50263736   
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))		BDBM50263736
PNG
(CHEMBL4090571)
Show SMILES Cc1cc(ccc1C(F)(F)F)-c1c(c(CO)nn1C)-c1nc(CO)c2n1nc(C)[nH]c2=O |(14.24,-15.38,;15.02,-14.04,;16.56,-14.05,;17.33,-12.72,;16.57,-11.38,;15.02,-11.38,;14.25,-12.71,;12.7,-12.7,;12.69,-14.24,;11.36,-13.46,;11.94,-11.37,;18.87,-12.72,;19.78,-11.47,;21.25,-11.96,;22.5,-11.05,;23.9,-11.68,;21.24,-13.5,;19.77,-13.97,;19.3,-15.44,;19.31,-10.01,;20.22,-8.77,;19.32,-7.52,;19.8,-6.05,;18.77,-4.91,;17.85,-7.99,;17.84,-9.53,;16.5,-10.3,;15.17,-9.52,;13.84,-10.29,;15.18,-7.98,;16.52,-7.22,;16.52,-5.67,)|
Show InChI InChI=1S/C20H19F3N6O3/c1-9-6-11(4-5-12(9)20(21,22)23)16-15(13(7-30)27-28(16)3)18-25-14(8-31)17-19(32)24-10(2)26-29(17)18/h4-6,30-31H,7-8H2,1-3H3,(H,24,26,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.90n/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