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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 = 'BDBM50067813'   
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))		BDBM50067813
PNG
(CHEMBL3400765)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C51H65N5O8/c1-7-27-56(28-8-2)50(62)41-26-18-25-40(32-41)47(59)54-42(30-37-19-12-9-13-20-37)45(57)33-46(58)53-43(29-35(3)4)48(60)52-36(5)49(61)55(6)44(31-38-21-14-10-15-22-38)51(63)64-34-39-23-16-11-17-24-39/h9-26,32,35-36,42-45,57H,7-8,27-31,33-34H2,1-6H3,(H,52,60)(H,53,58)(H,54,59)/t36-,42-,43-,44+,45-/m0/s1
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Similars
Article
PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) after 90 mins by fluorescence assay

Bioorg Med Chem 23: 1963-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.034
BindingDB Entry DOI: 10.7270/Q22N540B
More data for this
Ligand-Target Pair