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Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with all data for entry = 50046861   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50134443
PNG
(CHEMBL3746457)
Show SMILES Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C18H15FN4O2/c19-13-6-7-17(20-11-13)22-8-9-23-16(18(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134435
PNG
(CHEMBL3747735)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-10-11-23-18(19(22)24)12-15(21-23)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2
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n/an/an/an/a 65n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134436
PNG
(CHEMBL3746540)
Show SMILES Fc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)c(F)c1
Show InChI InChI=1S/C19H15F2N3O2/c20-13-6-7-17(16(21)10-13)23-8-9-24-18(19(23)25)11-14(22-24)12-26-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2
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n/an/an/an/a 100n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134437
PNG
(CHEMBL3746591)
Show SMILES Fc1ccc(cc1F)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C19H15F2N3O2/c20-16-7-6-14(11-17(16)21)23-8-9-24-18(19(23)25)10-13(22-24)12-26-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2
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n/an/an/an/a 87n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134438
PNG
(CHEMBL3747073)
Show SMILES Cc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C20H19N3O2/c1-15-7-9-17(10-8-15)22-11-12-23-19(20(22)24)13-16(21-23)14-25-18-5-3-2-4-6-18/h2-10,13H,11-12,14H2,1H3
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n/an/an/an/a 71n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134439
PNG
(CHEMBL3747662)
Show SMILES COc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C20H19N3O3/c1-25-17-9-7-16(8-10-17)22-11-12-23-19(20(22)24)13-15(21-23)14-26-18-5-3-2-4-6-18/h2-10,13H,11-12,14H2,1H3
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n/an/an/an/a 115n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134440
PNG
(CHEMBL3745940)
Show SMILES O=C1N(CCn2nc(COc3ccccc3)cc12)c1ccccn1
Show InChI InChI=1S/C18H16N4O2/c23-18-16-12-14(13-24-15-6-2-1-3-7-15)20-22(16)11-10-21(18)17-8-4-5-9-19-17/h1-9,12H,10-11,13H2
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n/an/an/an/a 759n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134441
PNG
(CHEMBL3746240)
Show SMILES O=C1N(CCn2nc(COc3ccccc3)cc12)c1cccnc1
Show InChI InChI=1S/C18H16N4O2/c23-18-17-11-14(13-24-16-6-2-1-3-7-16)20-22(17)10-9-21(18)15-5-4-8-19-12-15/h1-8,11-12H,9-10,13H2
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n/an/an/an/a 2.09E+3n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134442
PNG
(CHEMBL3747717)
Show SMILES O=C1N(CCn2nc(COc3ccccc3)cc12)c1ccncc1
Show InChI InChI=1S/C18H16N4O2/c23-18-17-12-14(13-24-16-4-2-1-3-5-16)20-22(17)11-10-21(18)15-6-8-19-9-7-15/h1-9,12H,10-11,13H2
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n/an/an/an/a 2.09E+3n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134443
PNG
(CHEMBL3746457)
Show SMILES Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C18H15FN4O2/c19-13-6-7-17(20-11-13)22-8-9-23-16(18(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2
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n/an/an/an/a 126n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134444
PNG
(CHEMBL3747085)
Show SMILES Cc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C19H18N4O2/c1-14-7-8-18(20-12-14)22-9-10-23-17(19(22)24)11-15(21-23)13-25-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3
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n/an/an/an/a 186n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134445
PNG
(CHEMBL3746298)
Show SMILES COc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C19H18N4O3/c1-25-16-7-8-18(20-12-16)22-9-10-23-17(19(22)24)11-14(21-23)13-26-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3
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n/an/an/an/a 617n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134446
PNG
(CHEMBL3747597)
Show SMILES Fc1cnc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C17H14FN5O2/c18-12-9-19-17(20-10-12)22-6-7-23-15(16(22)24)8-13(21-23)11-25-14-4-2-1-3-5-14/h1-5,8-10H,6-7,11H2
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n/an/an/an/a 759n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134447
PNG
(CHEMBL3747433)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccccc3F)cc2C1=O
Show InChI InChI=1S/C19H15F2N3O2/c20-13-5-7-15(8-6-13)23-9-10-24-17(19(23)25)11-14(22-24)12-26-18-4-2-1-3-16(18)21/h1-8,11H,9-10,12H2
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n/an/an/an/a 148n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134448
PNG
(CHEMBL3747118)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3cccc(F)c3)cc2C1=O
Show InChI InChI=1S/C19H15F2N3O2/c20-13-4-6-16(7-5-13)23-8-9-24-18(19(23)25)11-15(22-24)12-26-17-3-1-2-14(21)10-17/h1-7,10-11H,8-9,12H2
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n/an/an/an/a 100n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134449
PNG
(CHEMBL3745812)
Show SMILES Fc1ccc(OCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H15F2N3O2/c20-13-1-5-16(6-2-13)23-9-10-24-18(19(23)25)11-15(22-24)12-26-17-7-3-14(21)4-8-17/h1-8,11H,9-10,12H2
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n/an/an/an/a 105n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134453
PNG
(CHEMBL3746604)
Show SMILES Cc1ccc(OCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H18FN3O2/c1-14-2-8-18(9-3-14)26-13-16-12-19-20(25)23(10-11-24(19)22-16)17-6-4-15(21)5-7-17/h2-9,12H,10-11,13H2,1H3
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n/an/an/an/a 302n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134455
PNG
(CHEMBL3747522)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccccn3)cc2C1=O
Show InChI InChI=1S/C18H15FN4O2/c19-13-4-6-15(7-5-13)22-9-10-23-16(18(22)24)11-14(21-23)12-25-17-3-1-2-8-20-17/h1-8,11H,9-10,12H2
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n/an/an/an/a 490n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134457
PNG
(CHEMBL3746779)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3cccnc3)cc2C1=O
Show InChI InChI=1S/C18H15FN4O2/c19-13-3-5-15(6-4-13)22-8-9-23-17(18(22)24)10-14(21-23)12-25-16-2-1-7-20-11-16/h1-7,10-11H,8-9,12H2
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n/an/an/an/a 3.98E+3n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134463
PNG
(CHEMBL3747012)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccncc3)cc2C1=O
Show InChI InChI=1S/C18H15FN4O2/c19-13-1-3-15(4-2-13)22-9-10-23-17(18(22)24)11-14(21-23)12-25-16-5-7-20-8-6-16/h1-8,11H,9-10,12H2
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n/an/an/an/a 692n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134464
PNG
(CHEMBL3747732)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccc(F)cn3)cc2C1=O
Show InChI InChI=1S/C18H14F2N4O2/c19-12-1-4-15(5-2-12)23-7-8-24-16(18(23)25)9-14(22-24)11-26-17-6-3-13(20)10-21-17/h1-6,9-10H,7-8,11H2
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n/an/an/an/a 7.94E+3n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134465
PNG
(CHEMBL3746325)
Show SMILES Fc1ccc(nc1)N1CCn2nc(COc3cccc(F)c3)cc2C1=O
Show InChI InChI=1S/C18H14F2N4O2/c19-12-2-1-3-15(8-12)26-11-14-9-16-18(25)23(6-7-24(16)22-14)17-5-4-13(20)10-21-17/h1-5,8-10H,6-7,11H2
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n/an/an/an/a 91n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134466
PNG
(CHEMBL3747116)
Show SMILES Fc1ccc(cc1)N1CCn2nc(OCc3ccccc3)cc2C1=O
Show InChI InChI=1S/C19H16FN3O2/c20-15-6-8-16(9-7-15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2
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n/an/an/an/a 158n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134467
PNG
(CHEMBL3747260)
Show SMILES Fc1ccnc(c1)N1CCn2nc(OCc3ccccc3)cc2C1=O
Show InChI InChI=1S/C18H15FN4O2/c19-14-6-7-20-16(10-14)22-8-9-23-15(18(22)24)11-17(21-23)25-12-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2
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n/an/an/an/a<3.02E+4n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134468
PNG
(CHEMBL3747072)
Show SMILES CC(Oc1ccccc1)c1cc2C(=O)N(CCn2n1)c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN3O2/c1-14(26-17-5-3-2-4-6-17)18-13-19-20(25)23(11-12-24(19)22-18)16-9-7-15(21)8-10-16/h2-10,13-14H,11-12H2,1H3
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n/an/an/an/a 7.76E+3n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134469
PNG
(CHEMBL3746344)
Show SMILES Fc1ccc(cc1)N1CCCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C20H18FN3O2/c21-15-7-9-17(10-8-15)23-11-4-12-24-19(20(23)25)13-16(22-24)14-26-18-5-2-1-3-6-18/h1-3,5-10,13H,4,11-12,14H2
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n/an/an/an/a 87n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134473
PNG
(CHEMBL3747078)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccccc3)nc2C1=O
Show InChI InChI=1S/C18H15FN4O2/c19-13-6-8-14(9-7-13)22-10-11-23-17(18(22)24)20-16(21-23)12-25-15-4-2-1-3-5-15/h1-9H,10-12H2
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n/an/an/an/a 2.82E+3n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134474
PNG
(CHEMBL3746294)
Show SMILES Cc1c(COc2ccccc2)nn2CCN(C(=O)c12)c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN3O2/c1-14-18(13-26-17-5-3-2-4-6-17)22-24-12-11-23(20(25)19(14)24)16-9-7-15(21)8-10-16/h2-10H,11-13H2,1H3
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n/an/an/an/a 1.23E+3n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134476
PNG
(CHEMBL3746299)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccccc3)c(Cl)c2C1=O
Show InChI InChI=1S/C19H15ClFN3O2/c20-17-16(12-26-15-4-2-1-3-5-15)22-24-11-10-23(19(25)18(17)24)14-8-6-13(21)7-9-14/h1-9H,10-12H2
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n/an/an/an/a<3.02E+4n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134479
PNG
(CHEMBL3745901)
Show SMILES Fc1ccccc1N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C19H16FN3O2/c20-16-8-4-5-9-17(16)22-10-11-23-18(19(22)24)12-14(21-23)13-25-15-6-2-1-3-7-15/h1-9,12H,10-11,13H2
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n/an/an/an/a 160n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134480
PNG
(CHEMBL3746731)
Show SMILES Fc1cccc(c1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C19H16FN3O2/c20-14-5-4-6-16(11-14)22-9-10-23-18(19(22)24)12-15(21-23)13-25-17-7-2-1-3-8-17/h1-8,11-12H,9-10,13H2
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n/an/an/an/a 130n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134435
PNG
(CHEMBL3747735)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-10-11-23-18(19(22)24)12-15(21-23)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2
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n/an/an/an/a 65n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134436
PNG
(CHEMBL3746540)
Show SMILES Fc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)c(F)c1
Show InChI InChI=1S/C19H15F2N3O2/c20-13-6-7-17(16(21)10-13)23-8-9-24-18(19(23)25)11-14(22-24)12-26-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2
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n/an/an/an/a 100n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134437
PNG
(CHEMBL3746591)
Show SMILES Fc1ccc(cc1F)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C19H15F2N3O2/c20-16-7-6-14(11-17(16)21)23-8-9-24-18(19(23)25)10-13(22-24)12-26-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2
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n/an/an/an/a 87n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134438
PNG
(CHEMBL3747073)
Show SMILES Cc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C20H19N3O2/c1-15-7-9-17(10-8-15)22-11-12-23-19(20(22)24)13-16(21-23)14-25-18-5-3-2-4-6-18/h2-10,13H,11-12,14H2,1H3
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n/an/an/an/a 71n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134439
PNG
(CHEMBL3747662)
Show SMILES COc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C20H19N3O3/c1-25-17-9-7-16(8-10-17)22-11-12-23-19(20(22)24)13-15(21-23)14-26-18-5-3-2-4-6-18/h2-10,13H,11-12,14H2,1H3
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n/an/an/an/a 110n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134440
PNG
(CHEMBL3745940)
Show SMILES O=C1N(CCn2nc(COc3ccccc3)cc12)c1ccccn1
Show InChI InChI=1S/C18H16N4O2/c23-18-16-12-14(13-24-15-6-2-1-3-7-15)20-22(16)11-10-21(18)17-8-4-5-9-19-17/h1-9,12H,10-11,13H2
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n/an/an/an/a 760n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134441
PNG
(CHEMBL3746240)
Show SMILES O=C1N(CCn2nc(COc3ccccc3)cc12)c1cccnc1
Show InChI InChI=1S/C18H16N4O2/c23-18-17-11-14(13-24-16-6-2-1-3-7-16)20-22(17)10-9-21(18)15-5-4-8-19-12-15/h1-8,11-12H,9-10,13H2
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n/an/an/an/a 2.09E+3n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134442
PNG
(CHEMBL3747717)
Show SMILES O=C1N(CCn2nc(COc3ccccc3)cc12)c1ccncc1
Show InChI InChI=1S/C18H16N4O2/c23-18-17-12-14(13-24-16-4-2-1-3-5-16)20-22(17)11-10-21(18)15-6-8-19-9-7-15/h1-9,12H,10-11,13H2
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n/an/an/an/a 2.09E+3n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134443
PNG
(CHEMBL3746457)
Show SMILES Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C18H15FN4O2/c19-13-6-7-17(20-11-13)22-8-9-23-16(18(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2
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n/an/an/an/a 130n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134444
PNG
(CHEMBL3747085)
Show SMILES Cc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C19H18N4O2/c1-14-7-8-18(20-12-14)22-9-10-23-17(19(22)24)11-15(21-23)13-25-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3
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n/an/an/an/a 190n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134445
PNG
(CHEMBL3746298)
Show SMILES COc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C19H18N4O3/c1-25-16-7-8-18(20-12-16)22-9-10-23-17(19(22)24)11-14(21-23)13-26-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3
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n/an/an/an/a 620n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134446
PNG
(CHEMBL3747597)
Show SMILES Fc1cnc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C17H14FN5O2/c18-12-9-19-17(20-10-12)22-6-7-23-15(16(22)24)8-13(21-23)11-25-14-4-2-1-3-5-14/h1-5,8-10H,6-7,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 760n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134447
PNG
(CHEMBL3747433)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccccc3F)cc2C1=O
Show InChI InChI=1S/C19H15F2N3O2/c20-13-5-7-15(8-6-13)23-9-10-24-17(19(23)25)11-14(22-24)12-26-18-4-2-1-3-16(18)21/h1-8,11H,9-10,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 150n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134448
PNG
(CHEMBL3747118)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3cccc(F)c3)cc2C1=O
Show InChI InChI=1S/C19H15F2N3O2/c20-13-4-6-16(7-5-13)23-8-9-24-18(19(23)25)11-15(22-24)12-26-17-3-1-2-14(21)10-17/h1-7,10-11H,8-9,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134449
PNG
(CHEMBL3745812)
Show SMILES Fc1ccc(OCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H15F2N3O2/c20-13-1-5-16(6-2-13)23-9-10-24-18(19(23)25)11-15(22-24)12-26-17-7-3-14(21)4-8-17/h1-8,11H,9-10,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134453
PNG
(CHEMBL3746604)
Show SMILES Cc1ccc(OCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H18FN3O2/c1-14-2-8-18(9-3-14)26-13-16-12-19-20(25)23(10-11-24(19)22-16)17-6-4-15(21)5-7-17/h2-9,12H,10-11,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 300n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134455
PNG
(CHEMBL3747522)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccccn3)cc2C1=O
Show InChI InChI=1S/C18H15FN4O2/c19-13-4-6-15(7-5-13)22-9-10-23-16(18(22)24)11-14(21-23)12-25-17-3-1-2-8-20-17/h1-8,11H,9-10,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 490n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134457
PNG
(CHEMBL3746779)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3cccnc3)cc2C1=O
Show InChI InChI=1S/C18H15FN4O2/c19-13-3-5-15(6-4-13)22-8-9-23-17(18(22)24)10-14(21-23)12-25-16-2-1-7-20-11-16/h1-7,10-11H,8-9,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 3.98E+3n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134463
PNG
(CHEMBL3747012)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccncc3)cc2C1=O
Show InChI InChI=1S/C18H15FN4O2/c19-13-1-3-15(4-2-13)22-9-10-23-17(18(22)24)11-14(21-23)12-25-16-5-7-20-8-6-16/h1-8,11H,9-10,12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 690n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
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