BDBM455354 2-((7-(4-Fluorophenyl)-5,5-dimethyl-2-(((1R,5S,8s)-3-(6-methylpyrimidin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl)amino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)ethanol::US10730881, Example 20

SMILES: Cc1cc(ncn1)N1CC2CCC(C1)C2Nc1nc2N(CC(C)(C)c2c(NCCO)n1)c1ccc(F)cc1

InChI Key: InChIKey=DUBGAKMMFKWWSU-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 = 455354   

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))	BDBM455354 (2-((7-(4-Fluorophenyl)-5,5-dimethyl-2-(((1R,5S,8s)...) Show SMILES Cc1cc(ncn1)N1CC2CCC(C1)C2Nc1nc2N(CC(C)(C)c2c(NCCO)n1)c1ccc(F)cc1 |TLB:15:14:7.13.8:10.11,THB:3:7:14:10.11| Show InChI InChI=1S/C28H35FN8O/c1-17-12-22(32-16-31-17)36-13-18-4-5-19(14-36)24(18)33-27-34-25(30-10-11-38)23-26(35-27)37(15-28(23,2)3)21-8-6-20(29)7-9-21/h6-9,12,16,18-19,24,38H,4-5,10-11,13-15H2,1-3H3,(H2,30,33,34,35)	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	12	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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