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SMILES: CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C)C(=O)OC

InChI Key: InChIKey=DHFRVSAFEBHNGA-KNKRLEOUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50366945   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50366945
PNG
(CHEMBL1791282)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C)C(=O)OC
Show InChI InChI=1S/C41H63N5O8/c1-11-28(6)35(38(50)53-10)45-37(49)34(27(4)5)44-36(48)32(22-26(2)3)42-39(51)46(24-30-20-16-13-17-21-30)25-33(47)31(23-29-18-14-12-15-19-29)43-40(52)54-41(7,8)9/h12-21,26-28,31-35,47H,11,22-25H2,1-10H3,(H,42,51)(H,43,52)(H,44,48)(H,45,49)/t28-,31+,32+,33-,34+,35+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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Similars
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of amyloid-beta production in Chinese hamster ovary (CHO) cells expressing human amyloid precursor protein (APP)

Bioorg Med Chem Lett 14: 1935-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.077
BindingDB Entry DOI: 10.7270/Q2F19080
More data for this
Ligand-Target Pair