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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 = 'BDBM50042289'   
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))		BDBM50042289
PNG
(CHEMBL3361306)
Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](Cn1nc(C)cc1C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C38H69N7O7/c1-21(2)15-29(31(46)16-25(9)33(47)43-32(24(7)8)36(50)39-18-22(3)4)41-35(49)30(19-40-37(51)52-38(12,13)14)42-34(48)28(23(5)6)20-45-27(11)17-26(10)44-45/h17,21-25,28-32,46H,15-16,18-20H2,1-14H3,(H,39,50)(H,40,51)(H,41,49)(H,42,48)(H,43,47)/t25-,28-,29+,30+,31+,32+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 471n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin)

Bioorg Med Chem Lett 25: 668-72 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J
More data for this
Ligand-Target Pair