BindingDB logo
myBDB logout

BDBM50314604 (+/-)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-methyl-4-(pyridin-4-yl)-1H-imidazol-5(4H)-one::CHEMBL1092787

SMILES: CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F

InChI Key: InChIKey=RKYFABJLGJZOBA-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50314604   
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))
BDBM50314604
PNG
((+/-)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-me...)
Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F
Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/a 50n/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
3D
3D Structure (crystal)
Beta-secretase 2


(Homo sapiens (Human))
BDBM50314604
PNG
((+/-)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-me...)
Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F
Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 120n/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))
BDBM50314604
PNG
((+/-)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-me...)
Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F
Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 9.40E+3n/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))
BDBM50314604
PNG
((+/-)-2-amino-4-(2',5'-difluorobiphenyl-3-yl)-1-me...)
Show SMILES CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F
Show InChI InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/a 20n/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
3D
3D Structure (crystal)