BDBM50263792 CHEMBL4091870

SMILES: Cc1nn2c(nc(C(F)F)c2c(=O)[nH]1)-c1c(CO)nn(C)c1-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=MEBXCGVUBPGFPC-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 = 50263792   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50263792 (CHEMBL4091870) Show SMILES Cc1nn2c(nc(C(F)F)c2c(=O)[nH]1)-c1c(CO)nn(C)c1-c1ccc(cc1)C(F)(F)F |(18.22,-15.37,;19.54,-14.58,;20.88,-15.33,;22.2,-14.54,;23.68,-14.98,;24.56,-13.72,;23.64,-12.49,;24.09,-11.02,;23.1,-9.84,;25.61,-10.75,;22.18,-12.99,;20.84,-12.25,;20.81,-10.71,;19.52,-13.04,;24.18,-16.44,;25.66,-16.9,;26.89,-15.97,;26.7,-14.45,;25.68,-18.43,;24.22,-18.93,;23.77,-20.4,;23.3,-17.7,;21.76,-17.73,;21.01,-19.08,;19.47,-19.1,;18.68,-17.78,;19.43,-16.44,;20.96,-16.41,;17.13,-17.8,;16.73,-19.29,;15.65,-18.2,;16.34,-16.5,)| Show InChI InChI=1S/C19H15F5N6O2/c1-8-25-18(32)15-13(16(20)21)26-17(30(15)27-8)12-11(7-31)28-29(2)14(12)9-3-5-10(6-4-9)19(22,23)24/h3-6,16,31H,7H2,1-2H3,(H,25,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/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
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