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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 = 'BDBM50351102'   
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))		BDBM50351102
PNG
(CHEMBL1817742)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC(C)(C)c1ccccc1 |r|
Show InChI InChI=1S/C41H55FN8O8/c1-23(2)31(47-34(52)27(43)22-44-37(55)32-30(42)36(54)49-40(58)48-32)38(56)46-29(21-25-16-10-6-11-17-25)35(53)45-28(20-24-14-8-5-9-15-24)33(51)39(57)50-41(3,4)26-18-12-7-13-19-26/h5,7-9,12-15,18-19,23,25,27-29,31,33,51H,6,10-11,16-17,20-22,43H2,1-4H3,(H,44,55)(H,45,53)(H,46,56)(H,47,52)(H,50,57)(H2,48,49,54,58)/t27-,28-,29-,31-,33+/m0/s1
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Similars
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 by FRET assay

Bioorg Med Chem 19: 5238-46 (2011)


Article DOI: 10.1016/j.bmc.2011.07.002
BindingDB Entry DOI: 10.7270/Q20Z73NP
More data for this
Ligand-Target Pair