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BDBM50303745 2-amino-4-(3-fluoro-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566223

SMILES: COc1ccc(cc1F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1

InChI Key: InChIKey=YWRKDNPWZYLYMH-UHFFFAOYNA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 50303745   
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))
BDBM50303745
PNG
(2-amino-4-(3-fluoro-4-methoxyphenyl)-1-methyl-4-(3...)
Show SMILES COc1ccc(cc1F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1/C22H19FN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 by FRET based peptide cleavage assay


J Med Chem 53: 1146-58 (2010)


Article DOI: 10.1021/jm901414e
BindingDB Entry DOI: 10.7270/Q2SX6DBS
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50303745
PNG
(2-amino-4-(3-fluoro-4-methoxyphenyl)-1-methyl-4-(3...)
Show SMILES COc1ccc(cc1F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1/C22H19FN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 420n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHOK1 cells coexpressing human recombinant wild type APP assessed as blockade of amyloid beta production by ELISA


J Med Chem 53: 1146-58 (2010)


Article DOI: 10.1021/jm901414e
BindingDB Entry DOI: 10.7270/Q2SX6DBS
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50303745
PNG
(2-amino-4-(3-fluoro-4-methoxyphenyl)-1-methyl-4-(3...)
Show SMILES COc1ccc(cc1F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1/C22H19FN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 520n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 by FRET based peptide cleavage assay


J Med Chem 53: 1146-58 (2010)


Article DOI: 10.1021/jm901414e
BindingDB Entry DOI: 10.7270/Q2SX6DBS
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50303745
PNG
(2-amino-4-(3-fluoro-4-methoxyphenyl)-1-methyl-4-(3...)
Show SMILES COc1ccc(cc1F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1/C22H19FN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D by FRET based peptide cleavage assay


J Med Chem 53: 1146-58 (2010)


Article DOI: 10.1021/jm901414e
BindingDB Entry DOI: 10.7270/Q2SX6DBS
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50303745
PNG
(2-amino-4-(3-fluoro-4-methoxyphenyl)-1-methyl-4-(3...)
Show SMILES COc1ccc(cc1F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1/C22H19FN4O2/c1-27-20(28)22(26-21(27)24,17-8-9-19(29-2)18(23)12-17)16-7-3-5-14(11-16)15-6-4-10-25-13-15/h3-13H,1-2H3,(H2,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human BACE1


Eur J Med Chem 46: 58-64 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.014
BindingDB Entry DOI: 10.7270/Q2P55PRK
More data for this
Ligand-Target Pair