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PubMed code 25937015

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


(Mus musculus)
BDBM50083317
PNG
(CHEMBL3423096)
Show SMILES Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 |r|
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PubMed
n/an/a 2.10E+4n/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


(Mus musculus)
BDBM50083267
PNG
(CHEMBL3423270)
Show SMILES Fc1cccc(c1)[C@H]1C[C@@H]1NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C16H13F2NO/c17-12-5-1-3-10(7-12)14-9-15(14)19-16(20)11-4-2-6-13(18)8-11/h1-8,14-15H,9H2,(H,19,20)/t14-,15+/m1/s1
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n/an/a 3.00E+4n/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


(Mus musculus)
BDBM50083334
PNG
(CHEMBL3423094)
Show SMILES COc1cc(Br)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C17H15BrFNO2/c1-22-16-8-11(18)5-6-15(16)20-17(21)14-9-13(14)10-3-2-4-12(19)7-10/h2-8,13-14H,9H2,1H3,(H,20,21)/t13-,14+/m1/s1
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n/an/a 4.60E+4n/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


(Mus musculus)
BDBM50083318
PNG
(CHEMBL3423095)
Show SMILES Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2s1 |r|
Show InChI InChI=1S/C17H13FN2OS/c18-11-5-3-4-10(8-11)12-9-13(12)16(21)20-17-19-14-6-1-2-7-15(14)22-17/h1-8,12-13H,9H2,(H,19,20,21)/t12-,13+/m1/s1
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n/an/a 4.60E+4n/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


(Mus musculus)
BDBM50083316
PNG
(CHEMBL3423097)
Show SMILES Fc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C16H13ClFNO/c17-11-3-1-2-10(8-11)14-9-15(14)16(20)19-13-6-4-12(18)5-7-13/h1-8,14-15H,9H2,(H,19,20)/t14-,15+/m1/s1
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n/an/a 5.80E+4n/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


(Mus musculus)
BDBM50083313
PNG
(CHEMBL3423100)
Show SMILES Clc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2[nH]1 |r|
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n/an/a 6.70E+4n/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


(Mus musculus)
BDBM50083315
PNG
(CHEMBL3423098)
Show SMILES Clc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1ccccc1Cl |r|
Show InChI InChI=1S/C16H13Cl2NO/c17-11-5-3-4-10(8-11)12-9-13(12)16(20)19-15-7-2-1-6-14(15)18/h1-8,12-13H,9H2,(H,19,20)/t12-,13+/m1/s1
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n/an/a 7.10E+4n/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


(Mus musculus)
BDBM50083265
PNG
(CHEMBL3423272)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C16H13FN2O3/c17-12-5-1-3-10(7-12)14-9-15(14)18-16(20)11-4-2-6-13(8-11)19(21)22/h1-8,14-15H,9H2,(H,18,20)/t14-,15+/m1/s1
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n/an/a 1.30E+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


(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+
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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


(Mus musculus)
BDBM50083353
PNG
(CHEMBL3423092)
Show SMILES Fc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)cc1 |r|
Show InChI InChI=1S/C16H13F2NO/c17-11-4-6-13(7-5-11)19-16(20)15-9-14(15)10-2-1-3-12(18)8-10/h1-8,14-15H,9H2,(H,19,20)/t14-,15+/m1/s1
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n/an/a 1.60E+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


(Mus musculus)
BDBM50083263
PNG
(CHEMBL3423274)
Show SMILES Fc1cccc(c1)[C@H]1C[C@@H]1NC(=O)c1ccccn1 |r|
Show InChI InChI=1S/C15H13FN2O/c16-11-5-3-4-10(8-11)12-9-14(12)18-15(19)13-6-1-2-7-17-13/h1-8,12,14H,9H2,(H,18,19)/t12-,14+/m1/s1
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n/an/a 1.70E+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


(Mus musculus)
BDBM50083352
PNG
(CHEMBL3423093)
Show SMILES Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1ccccc1Cl |r|
Show InChI InChI=1S/C16H13ClFNO/c17-14-6-1-2-7-15(14)19-16(20)13-9-12(13)10-4-3-5-11(18)8-10/h1-8,12-13H,9H2,(H,19,20)/t12-,13+/m1/s1
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n/an/a 1.80E+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


(Mus musculus)
BDBM50083266
PNG
(CHEMBL3423271)
Show SMILES Fc1cccc(c1)[C@H]1C[C@@H]1NC(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C16H13ClFNO/c17-12-5-1-4-11(7-12)16(20)19-15-9-14(15)10-3-2-6-13(18)8-10/h1-8,14-15H,9H2,(H,19,20)/t14-,15+/m1/s1
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n/an/a 2.00E+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


(Mus musculus)
BDBM50083264
PNG
(CHEMBL3423273)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C16H13FN2O3/c17-12-3-1-2-11(8-12)14-9-15(14)18-16(20)10-4-6-13(7-5-10)19(21)22/h1-8,14-15H,9H2,(H,18,20)/t14-,15+/m1/s1
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n/an/a 2.00E+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


(Mus musculus)
BDBM50083354
PNG
(CHEMBL3423091)
Show SMILES Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1ccccc1F |r|
Show InChI InChI=1S/C16H13F2NO/c17-11-5-3-4-10(8-11)12-9-13(12)16(20)19-15-7-2-1-6-14(15)18/h1-8,12-13H,9H2,(H,19,20)/t12-,13+/m1/s1
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n/an/a 2.10E+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


(Mus musculus)
BDBM50083314
PNG
(CHEMBL3423099)
Show SMILES COc1cc(Br)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C17H15BrClNO2/c1-22-16-8-11(18)5-6-15(16)20-17(21)14-9-13(14)10-3-2-4-12(19)7-10/h2-8,13-14H,9H2,1H3,(H,20,21)/t13-,14+/m1/s1
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n/an/a 2.30E+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
* indicates data uncertainty>20%