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BDBM50358932 CHEMBL1923701

SMILES: COc1ccc2nc([nH]c2c1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O

InChI Key: InChIKey=YYFIEQLEVGNNBQ-INIZCTEOSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50358932   
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358932
PNG
(CHEMBL1923701)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C25H26N4O4S/c1-16(17-8-6-5-7-9-17)26-25(30)19-12-18(13-20(14-19)29(2)34(4,31)32)24-27-22-11-10-21(33-3)15-23(22)28-24/h5-16H,1-4H3,(H,26,30)(H,27,28)/t16-/m0/s1
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Article
PubMed
525n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358932
PNG
(CHEMBL1923701)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C25H26N4O4S/c1-16(17-8-6-5-7-9-17)26-25(30)19-12-18(13-20(14-19)29(2)34(4,31)32)24-27-22-11-10-21(33-3)15-23(22)28-24/h5-16H,1-4H3,(H,26,30)(H,27,28)/t16-/m0/s1
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Article
PubMed
2.35E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358932
PNG
(CHEMBL1923701)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C25H26N4O4S/c1-16(17-8-6-5-7-9-17)26-25(30)19-12-18(13-20(14-19)29(2)34(4,31)32)24-27-22-11-10-21(33-3)15-23(22)28-24/h5-16H,1-4H3,(H,26,30)(H,27,28)/t16-/m0/s1
PDB
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Reactome pathway
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Article
PubMed
n/an/a 545n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358932
PNG
(CHEMBL1923701)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C25H26N4O4S/c1-16(17-8-6-5-7-9-17)26-25(30)19-12-18(13-20(14-19)29(2)34(4,31)32)24-27-22-11-10-21(33-3)15-23(22)28-24/h5-16H,1-4H3,(H,26,30)(H,27,28)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.43E+3n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair