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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2' and Ligand = 'BDBM50125652'   
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
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))		BDBM50125652
PNG
((S)-4-Methyl-2-(4-methyl-pentanoylamino)-pentanoic...)
Show SMILES CC(C)CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(O)c1ccccc1
Show InChI InChI=1S/C28H44N2O4/c1-19(2)15-16-25(31)29-24(17-20(3)4)28(34)30-23(18-21-11-7-5-8-12-21)27(33)26(32)22-13-9-6-10-14-22/h6,9-10,13-14,19-21,23-24,26,32H,5,7-8,11-12,15-18H2,1-4H3,(H,29,31)(H,30,34)/t23-,24-,26?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
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Similars
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta protein production in transfected H4 (neuroglioma) cells expressing APF constructs.

Bioorg Med Chem Lett 13: 1203-6 (2003)


BindingDB Entry DOI: 10.7270/Q279442Z
More data for this
Ligand-Target Pair