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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 = 'BDBM50366890'   
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))		BDBM50366890
PNG
(CHEMBL1790594)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)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/C38H58N6O7/c1-10-24(4)32(44-37(50)51-38(7,8)9)36(49)41-26(6)34(47)42-29(21-27-14-12-11-13-15-27)30(45)20-25(5)33(46)43-31(23(2)3)35(48)40-22-28-16-18-39-19-17-28/h11-19,23-26,29-32,45H,10,20-22H2,1-9H3,(H,40,48)(H,41,49)(H,42,47)(H,43,46)(H,44,50)/t24-,25-,26+,29+,30+,31+,32+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 42n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.

Bioorg Med Chem Lett 14: 239-43 (2003)


BindingDB Entry DOI: 10.7270/Q2MW2HP3
More data for this
Ligand-Target Pair