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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 = 'BDBM242933'   
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))		BDBM242933
PNG
(US9422255, 10a)
Show SMILES CN=S1(=O)C[C@](C)(NC(=N)[C@@]1(C)c1ccc(F)cc1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
Show InChI InChI=1S/C25H24ClF2N5O2S/c1-24(14-36(35,30-3)25(2,23(29)33-24)15-4-7-17(27)8-5-15)19-12-18(9-10-20(19)28)32-22(34)21-11-6-16(26)13-31-21/h4-13H,14H2,1-3H3,(H2,29,33)(H,32,34)/t24-,25+,36?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
 106 -40.5n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...

US Patent US9422255 (2016)


BindingDB Entry DOI: 10.7270/Q20P0XXS
More data for this
Ligand-Target Pair