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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 = 'BDBM50137690'   
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))		BDBM50137690
PNG
(CHEMBL310452 | {(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-h...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)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/C39H60N6O7S/c1-24(2)32(36(49)41-23-28-15-18-40-19-16-28)44-34(47)26(5)21-31(46)30(22-27-13-11-10-12-14-27)43-35(48)29(17-20-53-9)42-37(50)33(25(3)4)45-38(51)52-39(6,7)8/h10-16,18-19,24-26,29-33,46H,17,20-23H2,1-9H3,(H,41,49)(H,42,50)(H,43,48)(H,44,47)(H,45,51)/t26-,29+,30+,31+,32+,33+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 70n/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