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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 = 'BDBM50108522'   
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))		BDBM50108522
PNG
(4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C36H63N7O12S/c1-17(2)15-25(42-33(51)24(13-14-56-10)41-35(53)29(18(3)4)39-22(9)44)26(45)16-27(46)43-30(19(5)6)34(52)37-20(7)31(49)40-23(11-12-28(47)48)32(50)38-21(8)36(54)55/h17-21,23-26,29-30,45H,11-16H2,1-10H3,(H,37,52)(H,38,50)(H,39,44)(H,40,49)(H,41,53)(H,42,51)(H,43,46)(H,47,48)(H,54,55)/t20-,21-,23-,24-,25?,26?,29-,30-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay

J Med Chem 45: 259-62 (2002)


BindingDB Entry DOI: 10.7270/Q23F4QC5
More data for this
Ligand-Target Pair