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SMILES: CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NCCCCC#C

InChI Key: InChIKey=YKCNMCSQOOEJHB-BDHQKZEVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484974   
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
Presenilin-1


(Homo sapiens (Human))		BDBM50484974
PNG
(CHEMBL2017499)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NCCCCC#C |r|
Show InChI InChI=1S/C52H64N4O7/c1-7-8-9-19-30-53-49(60)45(34-39-26-28-41(29-27-39)47(58)40-24-17-12-18-25-40)55-50(61)44(31-36(2)3)54-48(59)42(32-37-20-13-10-14-21-37)35-46(57)43(33-38-22-15-11-16-23-38)56-51(62)63-52(4,5)6/h1,10-18,20-29,36,42-46,57H,8-9,19,30-35H2,2-6H3,(H,53,60)(H,54,59)(H,55,61)(H,56,62)/t42-,43+,44+,45+,46-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in cell-free human HeLa membrane assessed as amyloid beta-42 production using APP as substrate

Bioorg Med Chem Lett 22: 2997-3000 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.027
BindingDB Entry DOI: 10.7270/Q2SB48KN
More data for this
Ligand-Target Pair