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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 = 'BDBM50374233'   
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))		BDBM50374233
PNG
(CHEMBL428870)
Show SMILES CCCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
Show InChI InChI=1S/C30H39F2N3O4/c1-2-3-7-10-35-18-22(14-28(35)36)30(38)34-27(13-21-11-23(31)15-24(32)12-21)29(37)26-16-25(17-33-26)39-19-20-8-5-4-6-9-20/h4-6,8-9,11-12,15,22,25-27,29,33,37H,2-3,7,10,13-14,16-19H2,1H3,(H,34,38)/t22-,25+,26+,27-,29+/m0/s1
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n/an/a 610n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of BACE2

Bioorg Med Chem Lett 18: 418-22 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH
More data for this
Ligand-Target Pair