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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM455357'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM455357
PNG
(8-(4-Fluorophenyl)-N2-((1R,5S,8s)-3-(6-methoxypyri...)
Show SMILES CNc1nc(NC2C3CCC2CN(C3)c2cnnc(OC)c2)nc2N(CCC(C)(C)c12)c1ccc(F)cc1 |TLB:14:12:6:8.9,5:6:12.11.13:8.9|
Show InChI InChI=1S/C28H35FN8O/c1-28(2)11-12-37(20-9-7-19(29)8-10-20)26-23(28)25(30-3)33-27(34-26)32-24-17-5-6-18(24)16-36(15-17)21-13-22(38-4)35-31-14-21/h7-10,13-14,17-18,24H,5-6,11-12,15-16H2,1-4H3,(H2,30,32,33,34)
PDB
MMDB

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US Patent
n/an/an/an/a 24n/an/an/an/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)


BindingDB Entry DOI: 10.7270/Q27M0C0J
More data for this
Ligand-Target Pair