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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 = 'BDBM50137693'   
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))		BDBM50137693
PNG
(CHEMBL81037 | {(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](CCSC)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/c1-9-13-29(44-38(51)52-39(5,6)7)35(48)42-30(18-21-53-8)36(49)43-31(23-27-14-11-10-12-15-27)32(46)22-26(4)34(47)45-33(25(2)3)37(50)41-24-28-16-19-40-20-17-28/h10-12,14-17,19-20,25-26,29-33,46H,9,13,18,21-24H2,1-8H3,(H,41,50)(H,42,48)(H,43,49)(H,44,51)(H,45,47)/t26-,29+,30+,31+,32+,33+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 60n/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