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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM335469'   
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
Beta-secretase 2


(Homo sapiens (Human))		BDBM335469
PNG
((3R,6S)-5-amino-3-(2-((2-(but- 2-yn-1-yloxy)pyrido...)
Show SMILES CC#CCOc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2n1 |r,c:32|
Show InChI InChI=1S/C25H26FN7O3S/c1-4-5-10-36-20-13-30-21-18(31-20)8-9-28-22(21)32-19-11-16(17(26)12-29-19)24(2)14-37(34,35)25(3,15-6-7-15)23(27)33-24/h8-9,11-13,15H,6-7,10,14H2,1-3H3,(H2,27,33)(H,28,29,32)/t24-,25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
 1.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention were determined to be potent inhibitors of BACE-2 using the following assay. Inhibitor IC50s at purified human autoBAC...

US Patent US9732088 (2017)


BindingDB Entry DOI: 10.7270/Q2XD13S2
More data for this
Ligand-Target Pair