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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 = 'BDBM50366891'   
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))		BDBM50366891
PNG
(CHEMBL1790644)
Show SMILES CC[C@H](C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
Show InChI InChI=1S/C33H49N5O6/c1-7-21(4)29(40)33(44)36-23(6)31(42)37-26(18-24-11-9-8-10-12-24)27(39)17-22(5)30(41)38-28(20(2)3)32(43)35-19-25-13-15-34-16-14-25/h8-16,20-23,26-29,39-40H,7,17-19H2,1-6H3,(H,35,43)(H,36,44)(H,37,42)(H,38,41)/t21-,22+,23-,26-,27-,28-,29-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 35n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cells

Bioorg Med Chem Lett 14: 245-50 (2003)


BindingDB Entry DOI: 10.7270/Q2H41S0J
More data for this
Ligand-Target Pair