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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Monomerid = 50052256   
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


(Homo sapiens (Human))
BDBM50052256
PNG
((S)-3-(amino(carboxy)methyl)bicyclo[1.1.1]pentane-...)
Show SMILES N[C@H](C(O)=O)C12CC(C1)(C2)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-4(5(10)11)7-1-8(2-7,3-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)/t4-,7?,8?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.03E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist potency against cloned metabotropic glutamate receptor 5


J Med Chem 43: 2609-45 (2000)


Article DOI: 10.1021/jm000007r
BindingDB Entry DOI: 10.7270/Q2DZ090Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50052256
PNG
((S)-3-(amino(carboxy)methyl)bicyclo[1.1.1]pentane-...)
Show SMILES N[C@H](C(O)=O)C12CC(C1)(C2)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-4(5(10)11)7-1-8(2-7,3-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)/t4-,7?,8?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory effect on second messenger formation in BHK cells expressing mGluR5a


J Med Chem 39: 2874-6 (1996)


Article DOI: 10.1021/jm960254o
BindingDB Entry DOI: 10.7270/Q2HT2NDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50052256
PNG
((S)-3-(amino(carboxy)methyl)bicyclo[1.1.1]pentane-...)
Show SMILES N[C@H](C(O)=O)C12CC(C1)(C2)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-4(5(10)11)7-1-8(2-7,3-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)/t4-,7?,8?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.03E+5n/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Concentration required to inhibit mGluR5a receptor


Bioorg Med Chem Lett 8: 1569-74 (1999)


Article DOI: 10.1016/s0960-894x(98)00265-0
BindingDB Entry DOI: 10.7270/Q2416W6X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50052256
PNG
((S)-3-(amino(carboxy)methyl)bicyclo[1.1.1]pentane-...)
Show SMILES N[C@H](C(O)=O)C12CC(C1)(C2)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-4(5(10)11)7-1-8(2-7,3-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)/t4-,7?,8?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+5n/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
The compound was tested for effect on second messenger formation in BHK cells expressing mGluR5a


J Med Chem 39: 2874-6 (1996)


Article DOI: 10.1021/jm960254o
BindingDB Entry DOI: 10.7270/Q2HT2NDJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50052256
PNG
((S)-3-(amino(carboxy)methyl)bicyclo[1.1.1]pentane-...)
Show SMILES N[C@H](C(O)=O)C12CC(C1)(C2)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-4(5(10)11)7-1-8(2-7,3-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)/t4-,7?,8?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.03E+5n/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
The compound was tested for effect on second messenger formation in BHK cells expressing mGluR5a at half maximal concentration


J Med Chem 39: 2874-6 (1996)


Article DOI: 10.1021/jm960254o
BindingDB Entry DOI: 10.7270/Q2HT2NDJ
More data for this
Ligand-Target Pair