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BDBM50263746 CHEMBL4084107

SMILES: COCc1nc(-c2c(C)nn(C)c2-c2ccc(cc2)C(F)(F)F)n2[n+]([O-])c(C)[nH]c(=O)c12

InChI Key: InChIKey=WHPQNBKQVPSZHC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50263746   
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))		BDBM50263746
PNG
(CHEMBL4084107)
Show SMILES COCc1nc(-c2c(C)nn(C)c2-c2ccc(cc2)C(F)(F)F)n2[n+]([O-])c(C)[nH]c(=O)c12 |(21.51,-4.74,;21.03,-6.2,;19.53,-6.52,;19.06,-7.99,;19.95,-9.23,;19.05,-10.48,;19.52,-12.93,;20.98,-13.42,;22.23,-12.51,;20.98,-14.95,;19.51,-15.42,;19.03,-16.88,;18.61,-14.17,;17.07,-14.17,;16.3,-15.5,;14.77,-15.5,;14,-14.16,;14.77,-12.84,;16.31,-12.84,;12.45,-14.15,;12.44,-15.69,;11.12,-14.91,;11.69,-12.83,;17.58,-9.99,;16.25,-10.76,;16.25,-12.31,;14.92,-9.99,;13.59,-10.75,;14.93,-8.45,;16.26,-7.69,;16.27,-6.14,;17.59,-8.46,)|
Show InChI InChI=1S/C20H19F3N6O3/c1-10-15(16(27(3)26-10)12-5-7-13(8-6-12)20(21,22)23)18-25-14(9-32-4)17-19(30)24-11(2)29(31)28(17)18/h5-8H,9H2,1-4H3,(H,24,30)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.40n/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