BDBM50263735 CHEMBL4075381

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

InChI Key: InChIKey=HGARPZACWQHBHN-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 = 50263735   

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))	BDBM50263735 (CHEMBL4075381) Show SMILES Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(c(CO)c1)C(F)(F)F |(22.5,-11.05,;21.25,-11.96,;21.24,-13.49,;19.77,-13.97,;19.29,-15.43,;18.87,-12.72,;19.78,-11.47,;19.31,-10.01,;20.21,-8.77,;19.32,-7.51,;19.79,-6.05,;17.85,-7.99,;17.84,-9.52,;16.5,-10.3,;15.17,-9.52,;13.84,-10.29,;15.18,-7.98,;16.51,-7.21,;16.52,-5.67,;17.33,-12.72,;16.56,-11.38,;15.02,-11.38,;14.25,-12.71,;15.02,-14.04,;14.24,-15.38,;12.7,-15.37,;16.55,-14.05,;12.7,-12.7,;12.69,-14.23,;11.36,-13.46,;11.94,-11.37,)| Show InChI InChI=1S/C20H19F3N6O2/c1-9-15(18-24-10(2)16-19(31)25-11(3)27-29(16)18)17(28(4)26-9)12-5-6-14(20(21,22)23)13(7-12)8-30/h5-7,30H,8H2,1-4H3,(H,25,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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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