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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50307374'   
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 1


(Homo sapiens (Human))		BDBM50307374
PNG
(CHEMBL589487 | N-[(1S,2S,4R)-1-(3,5-difluorophenox...)
Show SMILES CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)Nc1ccc(F)cc1 |r|
Show InChI InChI=1S/C38H41F3N4O8S/c1-23(24-8-6-5-7-9-24)42-36(47)25-14-26(16-31(15-25)45(2)22-54(4,50)51)37(48)44-33(21-53-32-18-28(40)17-29(41)19-32)34(46)20-35(52-3)38(49)43-30-12-10-27(39)11-13-30/h5-19,23,33-35,46H,20-22H2,1-4H3,(H,42,47)(H,43,49)(H,44,48)/t23-,33+,34+,35-/m1/s1
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Similars
Article
PubMed
 100n/an/an/an/an/an/an/an/a



Stockholm University

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 expressed in Escherichia coli cells (BL21(DE3) by TRF assay

J Med Chem 53: 1458-64 (2010)


Article DOI: 10.1021/jm901168f
BindingDB Entry DOI: 10.7270/Q2DR2VKN
More data for this
Ligand-Target Pair