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BDBM50314600 2-amino-4-(3',5'-difluorobiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1091463

SMILES: CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)cc(F)c1

InChI Key: InChIKey=AYXHXAPMJNZSFH-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50314600   
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))
BDBM50314600
PNG
(2-amino-4-(3',5'-difluorobiphenyl-3-yl)-1-methyl-4...)
Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)cc(F)c1 |c:3|
Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,15-5-7-25-8-6-15)16-4-2-3-13(9-16)14-10-17(22)12-18(23)11-14/h2-12H,1H3,(H2,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 20: 2326-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.136
BindingDB Entry DOI: 10.7270/Q28C9WDF
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50314600
PNG
(2-amino-4-(3',5'-difluorobiphenyl-3-yl)-1-methyl-4...)
Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)cc(F)c1 |c:3|
Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,15-5-7-25-8-6-15)16-4-2-3-13(9-16)14-10-17(22)12-18(23)11-14/h2-12H,1H3,(H2,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 20: 2326-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.136
BindingDB Entry DOI: 10.7270/Q28C9WDF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50314600
PNG
(2-amino-4-(3',5'-difluorobiphenyl-3-yl)-1-methyl-4...)
Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)cc(F)c1 |c:3|
Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,15-5-7-25-8-6-15)16-4-2-3-13(9-16)14-10-17(22)12-18(23)11-14/h2-12H,1H3,(H2,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.41E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by FRET assay


Bioorg Med Chem Lett 20: 2326-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.136
BindingDB Entry DOI: 10.7270/Q28C9WDF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50314600
PNG
(2-amino-4-(3',5'-difluorobiphenyl-3-yl)-1-methyl-4...)
Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)cc(F)c1 |c:3|
Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,15-5-7-25-8-6-15)16-4-2-3-13(9-16)14-10-17(22)12-18(23)11-14/h2-12H,1H3,(H2,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/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