BDBM50452200 CHEMBL4212416::US10647727, Example 20

SMILES: Cc1nc(NC2(CC2)c2ccc(cc2)C(F)(F)F)c2cnn(C)c2n1

InChI Key: InChIKey=XBYSLZZQMIGOEQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50452200   

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))	BDBM50452200 (CHEMBL4212416 | US10647727, Example 20) Show SMILES Cc1nc(NC2(CC2)c2ccc(cc2)C(F)(F)F)c2cnn(C)c2n1 Show InChI InChI=1S/C17H16F3N5/c1-10-22-14(13-9-21-25(2)15(13)23-10)24-16(7-8-16)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	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))	BDBM50452200 (CHEMBL4212416 | US10647727, Example 20) Show SMILES Cc1nc(NC2(CC2)c2ccc(cc2)C(F)(F)F)c2cnn(C)c2n1 Show InChI InChI=1S/C17H16F3N5/c1-10-22-14(13-9-21-25(2)15(13)23-10)24-16(7-8-16)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3,(H,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.5	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))	BDBM50452200 (CHEMBL4212416 | US10647727, Example 20) Show SMILES Cc1nc(NC2(CC2)c2ccc(cc2)C(F)(F)F)c2cnn(C)c2n1 Show InChI InChI=1S/C17H16F3N5/c1-10-22-14(13-9-21-25(2)15(13)23-10)24-16(7-8-16)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.10	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))	BDBM50452200 (CHEMBL4212416 | US10647727, Example 20) Show SMILES Cc1nc(NC2(CC2)c2ccc(cc2)C(F)(F)F)c2cnn(C)c2n1 Show InChI InChI=1S/C17H16F3N5/c1-10-22-14(13-9-21-25(2)15(13)23-10)24-16(7-8-16)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.40	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