BDBM50452209 CHEMBL4207777::US10647727, Example 9

SMILES: Cn1ncc2c(NC3(CC3)c3ccc(cc3)C(F)(F)F)nc(Cl)nc12

InChI Key: InChIKey=YIIMIHLIRATCLN-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50452209   

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))	BDBM50452209 (CHEMBL4207777 | US10647727, Example 9) Show SMILES Cn1ncc2c(NC3(CC3)c3ccc(cc3)C(F)(F)F)nc(Cl)nc12 Show InChI InChI=1S/C16H13ClF3N5/c1-25-13-11(8-21-25)12(22-14(17)23-13)24-15(6-7-15)9-2-4-10(5-3-9)16(18,19)20/h2-5,8H,6-7H2,1H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10647727 (2020)
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50452209 (CHEMBL4207777 | US10647727, Example 9) Show SMILES Cn1ncc2c(NC3(CC3)c3ccc(cc3)C(F)(F)F)nc(Cl)nc12 Show InChI InChI=1S/C16H13ClF3N5/c1-25-13-11(8-21-25)12(22-14(17)23-13)24-15(6-7-15)9-2-4-10(5-3-9)16(18,19)20/h2-5,8H,6-7H2,1H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity to PDE2 (unknown origin) by SPR analysis				Bioorg Med Chem Lett 27: 5167-5171 (2017) Article DOI: 10.1016/j.bmcl.2017.10.054 BindingDB Entry DOI: 10.7270/Q28C9ZV3
					More data for this Ligand-Target Pair
Phosphodiesterase (Macaca mulatta (Rhesus macaque))	BDBM50452209 (CHEMBL4207777 | US10647727, Example 9) Show SMILES Cn1ncc2c(NC3(CC3)c3ccc(cc3)C(F)(F)F)nc(Cl)nc12 Show InChI InChI=1S/C16H13ClF3N5/c1-25-13-11(8-21-25)12(22-14(17)23-13)24-15(6-7-15)9-2-4-10(5-3-9)16(18,19)20/h2-5,8H,6-7H2,1H3,(H,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...				US Patent US10647727 (2020)
					More data for this Ligand-Target Pair