BDBM455346 7-(4-Fluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S,8s)-3-(pyridazin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine::US10730881, Example 12

SMILES: CNc1nc(NC2C3CCC2CN(C3)c2ccnnc2)nc2N(CC(C)(C)c12)c1ccc(F)cc1

InChI Key: InChIKey=CIXVJFUNUYTWQG-UHFFFAOYSA-N

Data: 1 EC50

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 = 455346   

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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM455346 (7-(4-Fluorophenyl)-N4,5,5-trimethyl-N2-((1R,5S,8s)...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2ccnnc2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 |TLB:5:6:12.11.13:8.9,14:12:6:8.9| Show InChI InChI=1S/C26H31FN8/c1-26(2)15-35(19-8-6-18(27)7-9-19)24-21(26)23(28-3)32-25(33-24)31-22-16-4-5-17(22)14-34(13-16)20-10-11-29-30-12-20/h6-12,16-17,22H,4-5,13-15H2,1-3H3,(H2,28,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE, INC. US Patent					Assay Description Human neuroglioma H4 cells overexpressing human APP695 with the Swedish double mutation (K595N/M596L) were plated at 30,000 cells/well/100 μl in...				US Patent US10730881 (2020)
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