BindingDB logo
myBDB logout

BDBM50303744 2-amino-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL566638

SMILES: COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1

InChI Key: InChIKey=SPQJQLMNHCRQEE-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 = 50303744   
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))
BDBM50303744
PNG
(2-amino-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-1-m...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1/C27H28N4O3/c1-31-25(32)27(30-26(31)28,20-9-5-7-18(15-20)19-8-6-14-29-17-19)21-12-13-23(33-2)24(16-21)34-22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H2,28,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/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))
BDBM50303744
PNG
(2-amino-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-1-m...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1/C27H28N4O3/c1-31-25(32)27(30-26(31)28,20-9-5-7-18(15-20)19-8-6-14-29-17-19)21-12-13-23(33-2)24(16-21)34-22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H2,28,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 670n/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))
BDBM50303744
PNG
(2-amino-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-1-m...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1/C27H28N4O3/c1-31-25(32)27(30-26(31)28,20-9-5-7-18(15-20)19-8-6-14-29-17-19)21-12-13-23(33-2)24(16-21)34-22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H2,28,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/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))
BDBM50303744
PNG
(2-amino-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-1-m...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1/C27H28N4O3/c1-31-25(32)27(30-26(31)28,20-9-5-7-18(15-20)19-8-6-14-29-17-19)21-12-13-23(33-2)24(16-21)34-22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H2,28,30)
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 8.30E+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))
BDBM50303744
PNG
(2-amino-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-1-m...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1/C27H28N4O3/c1-31-25(32)27(30-26(31)28,20-9-5-7-18(15-20)19-8-6-14-29-17-19)21-12-13-23(33-2)24(16-21)34-22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H2,28,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/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