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

InChI Key: InChIKey=AHNVCELUVSJVQG-IHZBLBIESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50157590   
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))
BDBM50157590
PNG
((S)-tert-butyl 2-((S)-2-(3-benzyl-3-((2R,3S)-3-(te...)
Show SMILES CC(C)C[C@H](NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C38H58N4O7/c1-25(2)21-30(33(44)41-32(26(3)4)34(45)48-37(5,6)7)39-35(46)42(23-28-19-15-12-16-20-28)24-31(43)29(22-27-17-13-11-14-18-27)40-36(47)49-38(8,9)10/h11-20,25-26,29-32,43H,21-24H2,1-10H3,(H,39,46)(H,40,47)(H,41,44)/t29-,30-,31+,32-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP after 24 hrs by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157590
PNG
((S)-tert-butyl 2-((S)-2-(3-benzyl-3-((2R,3S)-3-(te...)
Show SMILES CC(C)C[C@H](NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C38H58N4O7/c1-25(2)21-30(33(44)41-32(26(3)4)34(45)48-37(5,6)7)39-35(46)42(23-28-19-15-12-16-20-28)24-31(43)29(22-27-17-13-11-14-18-27)40-36(47)49-38(8,9)10/h11-20,25-26,29-32,43H,21-24H2,1-10H3,(H,39,46)(H,40,47)(H,41,44)/t29-,30-,31+,32-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP after 4 hrs by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair