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

InChI Key: InChIKey=WRXCRVWEQSXNRB-OMRVPHBLSA-N

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 4 hits for monomerid = 50157580   
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))
BDBM50157580
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r|
Show InChI InChI=1S/C36H54N4O7/c1-24(2)19-29(32(42)37-30(20-25(3)4)33(43)46-8)38-34(44)40(22-27-17-13-10-14-18-27)23-31(41)28(21-26-15-11-9-12-16-26)39-35(45)47-36(5,6)7/h9-18,24-25,28-31,41H,19-23H2,1-8H3,(H,37,42)(H,38,44)(H,39,45)/t28-,29-,30-,31-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+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 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))
BDBM50157580
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r|
Show InChI InChI=1S/C36H54N4O7/c1-24(2)19-29(32(42)37-30(20-25(3)4)33(43)46-8)38-34(44)40(22-27-17-13-10-14-18-27)23-31(41)28(21-26-15-11-9-12-16-26)39-35(45)47-36(5,6)7/h9-18,24-25,28-31,41H,19-23H2,1-8H3,(H,37,42)(H,38,44)(H,39,45)/t28-,29-,30-,31-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.00E+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 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
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157580
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r|
Show InChI InChI=1S/C36H54N4O7/c1-24(2)19-29(32(42)37-30(20-25(3)4)33(43)46-8)38-34(44)40(22-27-17-13-10-14-18-27)23-31(41)28(21-26-15-11-9-12-16-26)39-35(45)47-36(5,6)7/h9-18,24-25,28-31,41H,19-23H2,1-8H3,(H,37,42)(H,38,44)(H,39,45)/t28-,29-,30-,31-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 200n/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
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157580
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r|
Show InChI InChI=1S/C36H54N4O7/c1-24(2)19-29(32(42)37-30(20-25(3)4)33(43)46-8)38-34(44)40(22-27-17-13-10-14-18-27)23-31(41)28(21-26-15-11-9-12-16-26)39-35(45)47-36(5,6)7/h9-18,24-25,28-31,41H,19-23H2,1-8H3,(H,37,42)(H,38,44)(H,39,45)/t28-,29-,30-,31-/m1/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 9.00E+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