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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50156074'   
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


(Mus musculus)
BDBM50156074
PNG
(1,2-bis(3-fluorobenzylidene)hydrazine | CHEMBL3718...)
Show SMILES Fc1cccc(\C=N\N=C\c2cccc(F)c2)c1
Show InChI InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.36E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50156074
PNG
(1,2-bis(3-fluorobenzylidene)hydrazine | CHEMBL3718...)
Show SMILES Fc1cccc(\C=N\N=C\c2cccc(F)c2)c1
Show InChI InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.36E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulation at mGluR5 in mouse BV2 cells assessed as inhibition of LPS-induced NO production incubated for 1 hr prior to LPS chall...


Bioorg Med Chem Lett 25: 2275-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.042
BindingDB Entry DOI: 10.7270/Q2708359
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50156074
PNG
(1,2-bis(3-fluorobenzylidene)hydrazine | CHEMBL3718...)
Show SMILES Fc1cccc(\C=N\N=C\c2cccc(F)c2)c1
Show InChI InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.60E+3n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of mGluR5 (unknown origin)


J Med Chem 56: 7976-96 (2013)


Article DOI: 10.1021/jm401028t
BindingDB Entry DOI: 10.7270/Q2571DFR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50156074
PNG
(1,2-bis(3-fluorobenzylidene)hydrazine | CHEMBL3718...)
Show SMILES Fc1cccc(\C=N\N=C\c2cccc(F)c2)c1
Show InChI InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.36n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against metabotropic glutamate receptor 5 of human transfected into CHO cells


J Med Chem 47: 5825-8 (2004)


Article DOI: 10.1021/jm049400d
BindingDB Entry DOI: 10.7270/Q2HQ3ZC5
More data for this
Ligand-Target Pair