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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'koerner' and Initial = 'c'   
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))
BDBM50105838
PNG
(FENOBAM)
Show SMILES CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 |c:5|
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)
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32n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105838
PNG
(FENOBAM)
Show SMILES CN1CC(=O)N=C1NC(=O)Nc1cccc(Cl)c1 |c:5|
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)
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33n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450061
PNG
(CHEMBL4166199)
Show SMILES Cc1ccc(cc1)-n1nc(C)c2conc2c1=O
Show InChI InChI=1S/C13H11N3O2/c1-8-3-5-10(6-4-8)16-13(17)12-11(7-18-15-12)9(2)14-16/h3-7H,1-2H3
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UniChem
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1.88E+3n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450078
PNG
(CHEMBL4167825)
Show SMILES Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)c2nocc12
Show InChI InChI=1S/C12H7Cl2N3O2/c1-6-10-5-19-16-11(10)12(18)17(15-6)9-3-7(13)2-8(14)4-9/h2-5H,1H3
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3.08E+3n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450077
PNG
(CHEMBL4164391)
Show SMILES Cc1nn(-c2ccc(cc2)[N+]([O-])=O)c(=O)c2nocc12
Show InChI InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-2-4-9(5-3-8)16(18)19/h2-6H,1H3
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KEGG

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PC cid
PC sid
UniChem
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450076
PNG
(CHEMBL4163974)
Show SMILES Cc1nn(-c2ccc(F)cc2F)c(=O)c2nocc12
Show InChI InChI=1S/C12H7F2N3O2/c1-6-8-5-19-16-11(8)12(18)17(15-6)10-3-2-7(13)4-9(10)14/h2-5H,1H3
PDB
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KEGG

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B.MOAD
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PC cid
PC sid
UniChem
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450074
PNG
(CHEMBL4171187)
Show SMILES COc1ccc(cc1)-n1nc(C)c2conc2c1=O
Show InChI InChI=1S/C13H11N3O3/c1-8-11-7-19-15-12(11)13(17)16(14-8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450060
PNG
(CHEMBL4172276)
Show SMILES Cc1nn(-c2cccc(c2)[N+]([O-])=O)c(=O)c2nocc12
Show InChI InChI=1S/C12H8N4O4/c1-7-10-6-20-14-11(10)12(17)15(13-7)8-3-2-4-9(5-8)16(18)19/h2-6H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450059
PNG
(CHEMBL4160584)
Show SMILES Cc1nn(-c2ccc(F)cc2)c(=O)c2nocc12
Show InChI InChI=1S/C12H8FN3O2/c1-7-10-6-18-15-11(10)12(17)16(14-7)9-4-2-8(13)3-5-9/h2-6H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50450075
PNG
(CHEMBL4174628)
Show SMILES Cc1nn(-c2ccccc2)c(=O)c2nocc12
Show InChI InChI=1S/C12H9N3O2/c1-8-10-7-17-14-11(10)12(16)15(13-8)9-5-3-2-4-6-9/h2-7H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of MPEP from mGluR5 (unknown origin) after 3 hrs by liquid scintillation counting method


Bioorg Med Chem 26: 4797-4803 (2018)


Article DOI: 10.1016/j.bmc.2018.08.012
BindingDB Entry DOI: 10.7270/Q2Q242TX
More data for this
Ligand-Target Pair