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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 = 'BDBM50137686'   
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))		BDBM50137686
PNG
(CHEMBL78781 | {(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hy...)
Show SMILES CCC[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/C37H56N6O7/c1-9-13-28(42-36(49)50-37(6,7)8)34(47)40-25(5)33(46)41-29(21-26-14-11-10-12-15-26)30(44)20-24(4)32(45)43-31(23(2)3)35(48)39-22-27-16-18-38-19-17-27/h10-12,14-19,23-25,28-31,44H,9,13,20-22H2,1-8H3,(H,39,48)(H,40,47)(H,41,46)(H,42,49)(H,43,45)/t24-,25+,28+,29+,30+,31+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 41n/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