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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 = 'BDBM50510986'   
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))		BDBM50510986
PNG
(CHEMBL4459222)
Show SMILES [H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)cc(F)c1F |r,c:10|
Show InChI InChI=1S/C23H22F2N6O4S/c1-22(16-7-23(16,11-33-2)36-21(26)31-22)13-5-12(6-14(24)19(13)25)30-20(32)15-8-29-17(9-28-15)35-10-18-27-3-4-34-18/h3-6,8-9,16H,7,10-11H2,1-2H3,(H2,26,31)(H,30,32)/t16-,22+,23+/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE2 (unknown origin) using FRET peptide substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr by FRE...

J Med Chem 63: 2263-2281 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01034
BindingDB Entry DOI: 10.7270/Q2ZK5M0H
More data for this
Ligand-Target Pair