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3 similar compounds to monomer 50305032

Compile data set for download or QSAR
Wt: 281.3
BDBM50305026
Wt: 299.3
BDBM50305030
Wt: 295.3
BDBM50305031

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50305026,50305030,50305031   
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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305026
PNG
((6-(phenylamino)pyridin-3-yl)(piperidin-1-yl)metha...)
Show SMILES O=C(N1CCCCC1)c1ccc(Nc2ccccc2)nc1
Show InChI InChI=1S/C17H19N3O/c21-17(20-11-5-2-6-12-20)14-9-10-16(18-13-14)19-15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305031
PNG
(CHEMBL607841 | piperidin-1-yl(6-(p-tolylamino)pyri...)
Show SMILES Cc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C18H21N3O/c1-14-5-8-16(9-6-14)20-17-10-7-15(13-19-17)18(22)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12H2,1H3,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305030
PNG
((6-(4-fluorophenylamino)pyridin-3-yl)(piperidin-1-...)
Show SMILES Fc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C17H18FN3O/c18-14-5-7-15(8-6-14)20-16-9-4-13(12-19-16)17(22)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair