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Compile Data Set for Download or QSAR

Found 203 hits with Last Name = 'ferreira' and Initial = 'cg'   
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))
BDBM50390028
PNG
(CHEMBL2069398)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1
Show InChI InChI=1S/C19H16FN3O2/c1-12-3-2-4-13(9-12)18-21-19(25-22-18)14-10-17(24)23(11-14)16-7-5-15(20)6-8-16/h2-9,14H,10-11H2,1H3
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230n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAM from mGluR5


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390029
PNG
(CHEMBL2069397)
Show SMILES Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClFN3O2/c19-13-3-1-2-11(8-13)17-21-18(25-22-17)12-9-16(24)23(10-12)15-6-4-14(20)5-7-15/h1-8,12H,9-10H2
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410n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAM from mGluR5


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390029
PNG
(CHEMBL2069397)
Show SMILES Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClFN3O2/c19-13-3-1-2-11(8-13)17-21-18(25-22-17)12-9-16(24)23(10-12)15-6-4-14(20)5-7-15/h1-8,12H,9-10H2
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410n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAM from mGluR5


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392349
PNG
(CHEMBL2151478)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H13ClFN3O3S/c18-13-3-1-2-11(8-13)16-20-17(25-21-16)12-9-22(10-12)26(23,24)15-6-4-14(19)5-7-15/h1-8,12H,9-10H2
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n/an/a 130n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392348
PNG
(CHEMBL2151477)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H13Cl2N3O3S/c18-13-4-6-15(7-5-13)26(23,24)22-9-12(10-22)17-20-16(21-25-17)11-2-1-3-14(19)8-11/h1-8,12H,9-10H2
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n/an/a 170n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390036
PNG
(CHEMBL2071574)
Show SMILES Cc1ccccc1N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O2/c1-12-5-2-3-8-16(12)23-11-14(10-17(23)24)19-21-18(22-25-19)13-6-4-7-15(20)9-13/h2-9,14H,10-11H2,1H3
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n/an/a 370n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392350
PNG
(CHEMBL2151479)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H16ClN3O3S/c1-12-4-2-7-16(8-12)26(23,24)22-10-14(11-22)18-20-17(21-25-18)13-5-3-6-15(19)9-13/h2-9,14H,10-11H2,1H3
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n/an/a 390n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390066
PNG
(CHEMBL2069396)
Show SMILES Clc1cccc(c1)-c1noc(CCN2C(=O)CCc3ccc(Cl)cc23)n1
Show InChI InChI=1S/C19H15Cl2N3O2/c20-14-3-1-2-13(10-14)19-22-17(26-23-19)8-9-24-16-11-15(21)6-4-12(16)5-7-18(24)25/h1-4,6,10-11H,5,7-9H2
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n/an/a 550n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390039
PNG
(CHEMBL2071577)
Show SMILES COc1ccccc1N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O3/c1-25-16-8-3-2-7-15(16)23-11-13(10-17(23)24)19-21-18(22-26-19)12-5-4-6-14(20)9-12/h2-9,13H,10-11H2,1H3
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n/an/a 630n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392354
PNG
(CHEMBL2151483)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C1)S(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C19H19N3O3S/c1-13-5-3-7-15(9-13)18-20-19(25-21-18)16-11-22(12-16)26(23,24)17-8-4-6-14(2)10-17/h3-10,16H,11-12H2,1-2H3
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n/an/a 650n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392351
PNG
(CHEMBL2151480)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(C)c1
Show InChI InChI=1S/C19H19N3O3S/c1-13-6-8-17(9-7-13)26(23,24)22-11-16(12-22)19-20-18(21-25-19)15-5-3-4-14(2)10-15/h3-10,16H,11-12H2,1-2H3
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n/an/a 670n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392338
PNG
(CHEMBL2151467)
Show SMILES Fc1ccccc1C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClFN3O2/c19-13-5-3-4-11(8-13)16-21-17(25-22-16)12-9-23(10-12)18(24)14-6-1-2-7-15(14)20/h1-8,12H,9-10H2
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n/an/a 670n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390037
PNG
(CHEMBL2071575)
Show SMILES Clc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccccc1Cl
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-5-3-4-11(8-13)17-21-18(25-22-17)12-9-16(24)23(10-12)15-7-2-1-6-14(15)20/h1-8,12H,9-10H2
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n/an/a 680n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390035
PNG
(CHEMBL2071573)
Show SMILES COc1cccc(c1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O3/c1-25-16-7-3-6-15(10-16)23-11-13(9-17(23)24)19-21-18(22-26-19)12-4-2-5-14(20)8-12/h2-8,10,13H,9,11H2,1H3
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n/an/a 690n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390064
PNG
(CHEMBL2069394)
Show SMILES Clc1cccc(c1)-c1noc(CN2C(=O)COc3ccccc23)n1
Show InChI InChI=1S/C17H12ClN3O3/c18-12-5-3-4-11(8-12)17-19-15(24-20-17)9-21-13-6-1-2-7-14(13)23-10-16(21)22/h1-8H,9-10H2
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n/an/a 770n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392337
PNG
(CHEMBL2151466)
Show SMILES Fc1cccc(c1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClFN3O2/c19-14-5-1-3-11(7-14)16-21-17(25-22-16)13-9-23(10-13)18(24)12-4-2-6-15(20)8-12/h1-8,13H,9-10H2
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n/an/a 780n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390065
PNG
(CHEMBL2069395)
Show SMILES Clc1cccc(c1)-c1noc(CCN2C(=O)COc3ccccc23)n1
Show InChI InChI=1S/C18H14ClN3O3/c19-13-5-3-4-12(10-13)18-20-16(25-21-18)8-9-22-14-6-1-2-7-15(14)24-11-17(22)23/h1-7,10H,8-9,11H2
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n/an/a 800n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392367
PNG
(CHEMBL2151496)
Show SMILES Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCO1
Show InChI InChI=1S/C16H16ClN3O3/c17-12-4-1-3-10(7-12)14-18-15(23-19-14)11-8-20(9-11)16(21)13-5-2-6-22-13/h1,3-4,7,11,13H,2,5-6,8-9H2
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n/an/a 890n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390069
PNG
(CHEMBL2069389)
Show SMILES CC(C)CN1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H18ClN3O2/c1-10(2)8-20-9-12(7-14(20)21)16-18-15(19-22-16)11-4-3-5-13(17)6-11/h3-6,10,12H,7-9H2,1-2H3
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n/an/a 920n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392390
PNG
(CHEMBL2151631)
Show SMILES Fc1cccc(c1)-c1noc(n1)[C@@H]1CCN1C(=O)c1ccccc1F |r|
Show InChI InChI=1S/C18H13F2N3O2/c19-12-5-3-4-11(10-12)16-21-17(25-22-16)15-8-9-23(15)18(24)13-6-1-2-7-14(13)20/h1-7,10,15H,8-9H2/t15-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392347
PNG
(CHEMBL2151476)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H16ClN3O3S/c1-12-5-7-16(8-6-12)26(23,24)22-10-14(11-22)18-20-17(21-25-18)13-3-2-4-15(19)9-13/h2-9,14H,10-11H2,1H3
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n/an/a 920n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392353
PNG
(CHEMBL2151482)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H16FN3O3S/c1-12-3-2-4-13(9-12)17-20-18(25-21-17)14-10-22(11-14)26(23,24)16-7-5-15(19)6-8-16/h2-9,14H,10-11H2,1H3
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n/an/a 950n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392385
PNG
(CHEMBL2151627)
Show SMILES CC1CN(CC(C)O1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H21ClN4O3/c1-11-7-22(8-12(2)25-11)18(24)23-9-14(10-23)17-20-16(21-26-17)13-4-3-5-15(19)6-13/h3-6,11-12,14H,7-10H2,1-2H3
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n/an/a 990n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392360
PNG
(CHEMBL2151489)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC1
Show InChI InChI=1S/C17H19N3O2/c1-11-4-2-7-13(8-11)15-18-16(22-19-15)14-9-20(10-14)17(21)12-5-3-6-12/h2,4,7-8,12,14H,3,5-6,9-10H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392352
PNG
(CHEMBL2151481)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H16ClN3O3S/c1-12-3-2-4-13(9-12)17-20-18(25-21-17)14-10-22(11-14)26(23,24)16-7-5-15(19)6-8-16/h2-9,14H,10-11H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390038
PNG
(CHEMBL2071576)
Show SMILES Fc1ccccc1N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClFN3O2/c19-13-5-3-4-11(8-13)17-21-18(25-22-17)12-9-16(24)23(10-12)15-7-2-1-6-14(15)20/h1-8,12H,9-10H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390034
PNG
(CHEMBL2071572)
Show SMILES Clc1cccc(c1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H13Cl2N3O2/c19-13-4-1-3-11(7-13)17-21-18(25-22-17)12-8-16(24)23(10-12)15-6-2-5-14(20)9-15/h1-7,9,12H,8,10H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390062
PNG
(CHEMBL2069392)
Show SMILES Clc1cccc(c1)-c1noc(Cn2c3ccccc3sc2=O)n1
Show InChI InChI=1S/C16H10ClN3O2S/c17-11-5-3-4-10(8-11)15-18-14(22-19-15)9-20-12-6-1-2-7-13(12)23-16(20)21/h1-8H,9H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392361
PNG
(CHEMBL2151490)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCOC1
Show InChI InChI=1S/C17H19N3O3/c1-11-3-2-4-12(7-11)15-18-16(23-19-15)14-8-20(9-14)17(21)13-5-6-22-10-13/h2-4,7,13-14H,5-6,8-10H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392393
PNG
(CHEMBL2151634)
Show SMILES Cc1cccc(c1)-c1noc(n1)[C@@H]1CCN1C(=O)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C20H16N4O2/c1-13-3-2-4-16(11-13)18-22-19(26-23-18)17-9-10-24(17)20(25)15-7-5-14(12-21)6-8-15/h2-8,11,17H,9-10H2,1H3/t17-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392341
PNG
(CHEMBL2151470)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1ccccc1F
Show InChI InChI=1S/C19H16FN3O2/c1-12-5-4-6-13(9-12)17-21-18(25-22-17)14-10-23(11-14)19(24)15-7-2-3-8-16(15)20/h2-9,14H,10-11H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392366
PNG
(CHEMBL2151495)
Show SMILES Clc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC1
Show InChI InChI=1S/C16H16ClN3O2/c17-13-6-2-5-11(7-13)14-18-15(22-19-14)12-8-20(9-12)16(21)10-3-1-4-10/h2,5-7,10,12H,1,3-4,8-9H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390068
PNG
(CHEMBL2069388)
Show SMILES C[C@@H](N1C[C@@H](CC1=O)c1nc(no1)-c1cccc(Cl)c1)c1ccccc1 |r|
Show InChI InChI=1S/C20H18ClN3O2/c1-13(14-6-3-2-4-7-14)24-12-16(11-18(24)25)20-22-19(23-26-20)15-8-5-9-17(21)10-15/h2-10,13,16H,11-12H2,1H3/t13-,16-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392391
PNG
(CHEMBL2151632)
Show SMILES Cc1cccc(c1)-c1noc(n1)[C@@H]1CCN1C(=O)c1ccccc1F |r|
Show InChI InChI=1S/C19H16FN3O2/c1-12-5-4-6-13(11-12)17-21-18(25-22-17)16-9-10-23(16)19(24)14-7-2-3-8-15(14)20/h2-8,11,16H,9-10H2,1H3/t16-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392363
PNG
(CHEMBL2151492)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCOCC1
Show InChI InChI=1S/C18H21N3O3/c1-12-3-2-4-14(9-12)16-19-17(24-20-16)15-10-21(11-15)18(22)13-5-7-23-8-6-13/h2-4,9,13,15H,5-8,10-11H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392384
PNG
(CHEMBL2151626)
Show SMILES COC1CCCN(C1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H21ClN4O3/c1-25-15-6-3-7-22(11-15)18(24)23-9-13(10-23)17-20-16(21-26-17)12-4-2-5-14(19)8-12/h2,4-5,8,13,15H,3,6-7,9-11H2,1H3
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n/an/a 1.83E+3n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392362
PNG
(CHEMBL2151491)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCO1
Show InChI InChI=1S/C17H19N3O3/c1-11-4-2-5-12(8-11)15-18-16(23-19-15)13-9-20(10-13)17(21)14-6-3-7-22-14/h2,4-5,8,13-14H,3,6-7,9-10H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392340
PNG
(CHEMBL2151469)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C19H16FN3O2/c1-12-4-2-5-13(8-12)17-21-18(25-22-17)15-10-23(11-15)19(24)14-6-3-7-16(20)9-14/h2-9,15H,10-11H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390063
PNG
(CHEMBL2069393)
Show SMILES Clc1cccc(c1)-c1noc(Cn2c3ccccc3oc2=O)n1
Show InChI InChI=1S/C16H10ClN3O3/c17-11-5-3-4-10(8-11)15-18-14(23-19-15)9-20-12-6-1-2-7-13(12)22-16(20)21/h1-8H,9H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390030
PNG
(CHEMBL2071571)
Show SMILES Cc1cccc(c1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O2/c1-12-4-2-7-16(8-12)23-11-14(10-17(23)24)19-21-18(22-25-19)13-5-3-6-15(20)9-13/h2-9,14H,10-11H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392359
PNG
(CHEMBL2151488)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCCC1
Show InChI InChI=1S/C18H21N3O2/c1-12-5-4-8-14(9-12)16-19-17(23-20-16)15-10-21(11-15)18(22)13-6-2-3-7-13/h4-5,8-9,13,15H,2-3,6-7,10-11H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392380
PNG
(CHEMBL2151622)
Show SMILES CC1CCCN(C1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H21ClN4O2/c1-12-4-3-7-22(9-12)18(24)23-10-14(11-23)17-20-16(21-25-17)13-5-2-6-15(19)8-13/h2,5-6,8,12,14H,3-4,7,9-11H2,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390031
PNG
(CHEMBL2071570)
Show SMILES COc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O3/c1-25-16-7-5-15(6-8-16)23-11-13(10-17(23)24)19-21-18(22-26-19)12-3-2-4-14(20)9-12/h2-9,13H,10-11H2,1H3
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n/an/a 3.52E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390067
PNG
(CHEMBL2069387)
Show SMILES Fc1ccc(CN2CC(CC2=O)c2nc(no2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C19H15ClFN3O2/c20-15-3-1-2-13(8-15)18-22-19(26-23-18)14-9-17(25)24(11-14)10-12-4-6-16(21)7-5-12/h1-8,14H,9-11H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50390029
PNG
(CHEMBL2069397)
Show SMILES Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClFN3O2/c19-13-3-1-2-11(8-13)17-21-18(25-22-17)12-9-16(24)23(10-12)15-6-4-14(20)5-7-15/h1-8,12H,9-10H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50390029
PNG
(CHEMBL2069397)
Show SMILES Fc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClFN3O2/c19-13-3-1-2-11(8-13)17-21-18(25-22-17)12-9-16(24)23(10-12)15-6-4-14(20)5-7-15/h1-8,12H,9-10H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392336
PNG
(CHEMBL2151465)
Show SMILES Fc1ccc(cc1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClFN3O2/c19-14-3-1-2-12(8-14)16-21-17(25-22-16)13-9-23(10-13)18(24)11-4-6-15(20)7-5-11/h1-8,13H,9-10H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50390028
PNG
(CHEMBL2069398)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1
Show InChI InChI=1S/C19H16FN3O2/c1-12-3-2-4-13(9-12)18-21-19(25-22-18)14-10-17(24)23(11-14)16-7-5-15(20)6-8-16/h2-9,14H,10-11H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50390028
PNG
(CHEMBL2069398)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1
Show InChI InChI=1S/C19H16FN3O2/c1-12-3-2-4-13(9-12)18-21-19(25-22-18)14-10-17(24)23(11-14)16-7-5-15(20)6-8-16/h2-9,14H,10-11H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50390033
PNG
(CHEMBL2071568)
Show SMILES Cc1ccc(cc1)N1CC(CC1=O)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O2/c1-12-5-7-16(8-6-12)23-11-14(10-17(23)24)19-21-18(22-25-19)13-3-2-4-15(20)9-13/h2-9,14H,10-11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method


Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair
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