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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 = 'BDBM50137680'   
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))		BDBM50137680
PNG
(CHEMBL82607 | {(S)-1-[(S)-1-((2S,4S)-1-Benzyl-2-hy...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(F)(F)C(F)F)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1
Show InChI InChI=1S/C37H52F4N6O7/c1-21(2)29(33(52)43-20-25-13-15-42-16-14-25)47-30(49)22(3)17-28(48)26(18-24-11-9-8-10-12-24)45-31(50)23(4)44-32(51)27(19-37(40,41)34(38)39)46-35(53)54-36(5,6)7/h8-16,21-23,26-29,34,48H,17-20H2,1-7H3,(H,43,52)(H,44,51)(H,45,50)(H,46,53)(H,47,49)/t22-,23+,26+,27+,28+,29+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 281n/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