BindingDB logo
myBDB logout

PubMed code 20809633

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50327688
PNG
(3-Fluoro-5-(2-(pyridin-2-yl)-6,7-dihydrooxazolo[4,...)
Show SMILES Fc1cc(cc(c1)N1CCc2oc(nc2C1)-c1ccccn1)C#N
Show InChI InChI=1S/C18H13FN4O/c19-13-7-12(10-20)8-14(9-13)23-6-4-17-16(11-23)22-18(24-17)15-3-1-2-5-21-15/h1-3,5,7-9H,4,6,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from mGluR5 in rat cortical membranes


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50327695
PNG
(3-Fluoro-5-(2-(pyridin-2-yl)-7,8-dihydro-4H-oxazol...)
Show SMILES Fc1cc(cc(c1)N1CCCc2oc(nc2C1)-c1ccccn1)C#N
Show InChI InChI=1S/C19H15FN4O/c20-14-8-13(11-21)9-15(10-14)24-7-3-5-18-17(12-24)23-19(25-18)16-4-1-2-6-22-16/h1-2,4,6,8-10H,3,5,7,12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from mGluR5 in rat cortical membranes


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50327695
PNG
(3-Fluoro-5-(2-(pyridin-2-yl)-7,8-dihydro-4H-oxazol...)
Show SMILES Fc1cc(cc(c1)N1CCCc2oc(nc2C1)-c1ccccn1)C#N
Show InChI InChI=1S/C19H15FN4O/c20-14-8-13(11-21)9-15(10-14)24-7-3-5-18-17(12-24)23-19(25-18)16-4-1-2-6-22-16/h1-2,4,6,8-10H,3,5,7,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50327688
PNG
(3-Fluoro-5-(2-(pyridin-2-yl)-6,7-dihydrooxazolo[4,...)
Show SMILES Fc1cc(cc(c1)N1CCc2oc(nc2C1)-c1ccccn1)C#N
Show InChI InChI=1S/C18H13FN4O/c19-13-7-12(10-20)8-14(9-13)23-6-4-17-16(11-23)22-18(24-17)15-3-1-2-5-21-15/h1-3,5,7-9H,4,6,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50327689
PNG
(3-Fluoro-5-(2-(pyridin-2-yl)-6,7-dihydrooxazolo[5,...)
Show SMILES Fc1cc(cc(c1)N1CCc2nc(oc2C1)-c1ccccn1)C#N
Show InChI InChI=1S/C18H13FN4O/c19-13-7-12(10-20)8-14(9-13)23-6-4-15-17(11-23)24-18(22-15)16-3-1-2-5-21-16/h1-3,5,7-9H,4,6,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50327694
PNG
(3-(2-(Pyridin-2-yl)-7,8-dihydro-4H-oxazolo[4,5-c]a...)
Show SMILES N#Cc1cccc(c1)N1CCCc2oc(nc2C1)-c1ccccn1
Show InChI InChI=1S/C19H16N4O/c20-12-14-5-3-6-15(11-14)23-10-4-8-18-17(13-23)22-19(24-18)16-7-1-2-9-21-16/h1-3,5-7,9,11H,4,8,10,13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50327686
PNG
(3-(2-(Pyridin-2-yl)-6,7-dihydrooxazolo[4,5-c]pyrid...)
Show SMILES N#Cc1cccc(c1)N1CCc2oc(nc2C1)-c1ccccn1
Show InChI InChI=1S/C18H14N4O/c19-11-13-4-3-5-14(10-13)22-9-7-17-16(12-22)21-18(23-17)15-6-1-2-8-20-15/h1-6,8,10H,7,9,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Sepracor Inc.

Curated by ChEMBL


Assay Description
Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50327683
PNG
(2-(2-(Pyridin-2-yl)-6,7-dihydrooxazolo[4,5-c]pyrid...)
Show SMILES N#Cc1cccnc1N1CCc2oc(nc2C1)-c1ccccn1
Show InChI InChI=1S/C17H13N5O/c18-10-12-4-3-8-20-16(12)22-9-6-15-14(11-22)21-17(23-15)13-5-1-2-7-19-13/h1-5,7-8H,6,9,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50327693
PNG
(3-(2-(pyridin-2-yl)-3aH-pyrrolo[3,4-d]oxazol-5(4H,...)
Show SMILES N#Cc1cccc(c1)N1CC2OC(=NC2C1)c1ccccn1 |c:13|
Show InChI InChI=1S/C17H14N4O/c18-9-12-4-3-5-13(8-12)21-10-15-16(11-21)22-17(20-15)14-6-1-2-7-19-14/h1-8,15-16H,10-11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 129n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50327691
PNG
(3-fluoro-5-(2-(pyridin-2-yl)-5,6-dihydroimidazo[1,...)
Show SMILES Fc1cc(cc(c1)N1CCn2cc(nc2C1)-c1ccccn1)C#N
Show InChI InChI=1S/C18H14FN5/c19-14-7-13(10-20)8-15(9-14)23-5-6-24-11-17(22-18(24)12-23)16-3-1-2-4-21-16/h1-4,7-9,11H,5-6,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 153n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50327687
PNG
(3-(2-(Pyridin-2-yl)-6,7-dihydrooxazolo[5,4-c]pyrid...)
Show SMILES N#Cc1cccc(c1)N1CCc2nc(oc2C1)-c1ccccn1
Show InChI InChI=1S/C18H14N4O/c19-11-13-4-3-5-14(10-13)22-9-7-15-17(12-22)23-18(21-15)16-6-1-2-8-20-16/h1-6,8,10H,7,9,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50327685
PNG
(5-Phenyl-2-(pyridin-2-yl)-4,5,6,7-tetrahydrooxazol...)
Show SMILES C1Cc2oc(nc2CN1c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C17H15N3O/c1-2-6-13(7-3-1)20-11-9-16-15(12-20)19-17(21-16)14-8-4-5-10-18-14/h1-8,10H,9,11-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50327692
PNG
(3-Fluoro-5-(2-(pyridin-2-yl)-5,6-dihydro-[1,2,4]tr...)
Show SMILES Fc1cc(cc(c1)N1CCn2nc(nc2C1)-c1ccccn1)C#N
Show InChI InChI=1S/C17H13FN6/c18-13-7-12(10-19)8-14(9-13)23-5-6-24-16(11-23)21-17(22-24)15-3-1-2-4-20-15/h1-4,7-9H,5-6,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 346n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50327684
PNG
(2-(2-(Pyridin-2-yl)-6,7-dihydrooxazolo[5,4-c]pyrid...)
Show SMILES N#Cc1cccnc1N1CCc2nc(oc2C1)-c1ccccn1
Show InChI InChI=1S/C17H13N5O/c18-10-12-4-3-8-20-16(12)22-9-6-13-15(11-22)23-17(21-13)14-5-1-2-7-19-14/h1-5,7-8H,6,9,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 640n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50327682
PNG
(2-(2-Phenyl-6,7-dihydrooxazolo[4,5-c]pyridin-5(4H)...)
Show SMILES N#Cc1cccnc1N1CCc2oc(nc2C1)-c1ccccc1
Show InChI InChI=1S/C18H14N4O/c19-11-14-7-4-9-20-17(14)22-10-8-16-15(12-22)21-18(23-16)13-5-2-1-3-6-13/h1-7,9H,8,10,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50327690
PNG
(3-(2-(Pyridin-2-yl)-4,5,6,7-tetrahydrooxazolo[5,4-...)
Show SMILES O=C(N1CCc2nc(oc2C1)-c1ccccn1)c1cccc(c1)C#N
Show InChI InChI=1S/C19H14N4O2/c20-11-13-4-3-5-14(10-13)19(24)23-9-7-15-17(12-23)25-18(22-15)16-6-1-2-8-21-16/h1-6,8,10H,7,9,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Modulation of human recombinant mGluR5 expressed in CHO cells assessed as inhibition of glutamate-induced response


J Med Chem 53: 7107-18 (2010)


Article DOI: 10.1021/jm100736h
BindingDB Entry DOI: 10.7270/Q20G3KCJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%