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BDBM50157573 (S)-methyl 2-((R)-2-(3-benzyl-3-((2R,3S)-3-(tert-butoxycarbonyl)-2-hydroxy-4-phenylbutyl)ureido)-4-methylpentanamido)-3-methylbutanoate::CHEMBL225461

SMILES: COC(=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

InChI Key: InChIKey=DINAVFJXFRFCRE-FLDOGFFGNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50157573   
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 PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50157573
PNG
((S)-methyl 2-((R)-2-(3-benzyl-3-((2R,3S)-3-(tert-b...)
Show SMILES COC(=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
Show InChI InChI=1/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28+,29+,30-/s2
PDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP 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 PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50157573
PNG
((S)-methyl 2-((R)-2-(3-benzyl-3-((2R,3S)-3-(tert-b...)
Show SMILES COC(=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
Show InChI InChI=1/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28+,29+,30-/s2
PDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells 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