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BDBM50329545 (R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-(pent-1-ynyl)phenyl)-1H-imidazol-5(4H)-one::CHEMBL1271036

SMILES: CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1

InChI Key: InChIKey=GRSRJXGZMHCKBH-ANBDAQEENA-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 = 50329545   
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))
BDBM50329545
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1/C22H21F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-4H2,1-2H3,(H2,25,26)/t22-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 by FRET assay


Bioorg Med Chem Lett 20: 6597-605 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50329545
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1/C22H21F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-4H2,1-2H3,(H2,25,26)/t22-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 220n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells assessed as reduction in amyloid beta level by sandwich ELISA


Bioorg Med Chem Lett 20: 6597-605 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329545
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1/C22H21F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-4H2,1-2H3,(H2,25,26)/t22-/s2
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of renin by FRET assay


Bioorg Med Chem Lett 20: 6597-605 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50329545
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1/C22H21F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-4H2,1-2H3,(H2,25,26)/t22-/s2
PDB
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NCI pathway
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Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by FRET assay


Bioorg Med Chem Lett 20: 6597-605 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50329545
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1/C22H21F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-4H2,1-2H3,(H2,25,26)/t22-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 20: 6597-605 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF
More data for this
Ligand-Target Pair