BindingDB logo
myBDB logout

BDBM50303736 5-(2-amino-1-methyl-5-oxo-4-(3-(pyridin-3-yl)phenyl)-4,5-dihydro-1H-imidazol-4-yl)-2-methoxybenzonitrile::CHEMBL568114

SMILES: COc1ccc(cc1C#N)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1

InChI Key: InChIKey=OHTIBTGUVJBMTO-UHFFFAOYSA-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 = 50303736   
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))
BDBM50303736
PNG
(5-(2-amino-1-methyl-5-oxo-4-(3-(pyridin-3-yl)pheny...)
Show SMILES COc1ccc(cc1C#N)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C23H19N5O2/c1-28-21(29)23(27-22(28)25,19-8-9-20(30-2)17(12-19)13-24)18-7-3-5-15(11-18)16-6-4-10-26-14-16/h3-12,14H,1-2H3,(H2,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.50E+3n/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 1


(Homo sapiens (Human))
BDBM50303736
PNG
(5-(2-amino-1-methyl-5-oxo-4-(3-(pyridin-3-yl)pheny...)
Show SMILES COc1ccc(cc1C#N)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C23H19N5O2/c1-28-21(29)23(27-22(28)25,19-8-9-20(30-2)17(12-19)13-24)18-7-3-5-15(11-18)16-6-4-10-26-14-16/h3-12,14H,1-2H3,(H2,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/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 2


(Homo sapiens (Human))
BDBM50303736
PNG
(5-(2-amino-1-methyl-5-oxo-4-(3-(pyridin-3-yl)pheny...)
Show SMILES COc1ccc(cc1C#N)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C23H19N5O2/c1-28-21(29)23(27-22(28)25,19-8-9-20(30-2)17(12-19)13-24)18-7-3-5-15(11-18)16-6-4-10-26-14-16/h3-12,14H,1-2H3,(H2,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 550n/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))
BDBM50303736
PNG
(5-(2-amino-1-methyl-5-oxo-4-(3-(pyridin-3-yl)pheny...)
Show SMILES COc1ccc(cc1C#N)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C23H19N5O2/c1-28-21(29)23(27-22(28)25,19-8-9-20(30-2)17(12-19)13-24)18-7-3-5-15(11-18)16-6-4-10-26-14-16/h3-12,14H,1-2H3,(H2,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.30E+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))
BDBM50303736
PNG
(5-(2-amino-1-methyl-5-oxo-4-(3-(pyridin-3-yl)pheny...)
Show SMILES COc1ccc(cc1C#N)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C23H19N5O2/c1-28-21(29)23(27-22(28)25,19-8-9-20(30-2)17(12-19)13-24)18-7-3-5-15(11-18)16-6-4-10-26-14-16/h3-12,14H,1-2H3,(H2,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/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