BDBM455338 N2-((1R,5S,8s)-3-(6-Chloropyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl)-7-(4-fluorophenyl)-N4,5,5-trimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine::US10730881, Example 5

SMILES: CNc1nc(NC2C3CCC2CN(C3)c2cc(Cl)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)cc1

InChI Key: InChIKey=RDKVSARKLROBFD-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 = 455338   

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
Beta amyloid A4 protein (Homo sapiens (Human))	BDBM455338 (N2-((1R,5S,8s)-3-(6-Chloropyrimidin-4-yl)-3-azabic...) Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cc(Cl)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)cc1 |TLB:5:6:8.9:13.11.12,14:12:6:8.9| Show InChI InChI=1S/C26H30ClFN8/c1-26(2)13-36(18-8-6-17(28)7-9-18)24-21(26)23(29-3)33-25(34-24)32-22-15-4-5-16(22)12-35(11-15)20-10-19(27)30-14-31-20/h6-10,14-16,22H,4-5,11-13H2,1-3H3,(H2,29,32,33,34)	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	31	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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