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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 = 'BDBM50366846'   
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))		BDBM50366846
PNG
(CHEMBL1791009)
Show SMILES CCCC[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)C(=O)NCc1cccc(c1)C(O)=O
Show InChI InChI=1S/C33H53N5O8/c1-8-10-14-25(31(43)34-18-23-12-11-13-24(16-23)33(45)46)37-28(41)17-27(40)26(15-19(3)4)38-30(42)21(6)35-32(44)29(20(5)9-2)36-22(7)39/h11-13,16,19-21,25-27,29,40H,8-10,14-15,17-18H2,1-7H3,(H,34,43)(H,35,44)(H,36,39)(H,37,41)(H,38,42)(H,45,46)/t20-,21-,25-,26-,27-,29-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 180n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human beta-secretase

Bioorg Med Chem Lett 13: 4335-9 (2003)


BindingDB Entry DOI: 10.7270/Q2513ZR3
More data for this
Ligand-Target Pair