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Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'boissin' and Initial = 'p'   
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))
BDBM50071369
PNG
(CHEMBL3410220)
Show SMILES Cc1nc(cn1-c1cccc(F)c1)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3
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17n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071328
PNG
(CHEMBL3410213)
Show SMILES Cc1cc(ccn1)C#Cc1ncn-2c1COc1ccccc-21
Show InChI InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3
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18n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071375
PNG
(CHEMBL3410223)
Show SMILES Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3
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20n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071372
PNG
(CHEMBL1946770)
Show SMILES Cc1nc(cn1-c1ccc(F)cc1)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3
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22n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071333
PNG
(CHEMBL3410215)
Show SMILES Cc1nc(cn1-c1ccccc1)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3
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28n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071332
PNG
(CHEMBL3410214)
Show SMILES Cc1nc(C#Cc2ccccc2)c2COc3ccccc3-n12
Show InChI InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3
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29n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071371
PNG
(CHEMBL3410221)
Show SMILES Cc1nc(cn1-c1ccc(F)cc1F)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3
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32n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071376
PNG
(CHEMBL3410224)
Show SMILES Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1F |(1.89,3.88,;2.81,3.06,;4.31,3.38,;5.09,2.05,;6.62,1.89,;8.15,1.73,;9.68,1.58,;10.31,.17,;11.84,.01,;12.74,1.26,;12.12,2.66,;12.84,3.66,;10.58,2.82,;4.06,.91,;4.31,-.3,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.4,-1.39,;,-1.54,;1.33,-.77,;2.4,-1.39,)|
Show InChI InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3
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33n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071374
PNG
(BASIMGLURANT | Basimglurant | RG-7090 | RO-4917523)
Show SMILES Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1
Show InChI InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3
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36n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071324
PNG
(CHEMBL3410207)
Show SMILES C1Oc2ccccc2-n2cnc(C#Cc3ccccc3)c12
Show InChI InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2
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69n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071322
PNG
(CHEMBL3410209)
Show SMILES Cc1cccc(c1)C#Cc1ncn-2c1COc1ccccc-21
Show InChI InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3
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72n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071335
PNG
(CHEMBL3410217)
Show SMILES Cc1nc(cn1-c1ccc(cc1)C#N)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3
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83n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071334
PNG
(CHEMBL3410216)
Show SMILES Cc1nc(cn1-c1cccc(c1)C#N)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3
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90n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071326
PNG
(CHEMBL3410211)
Show SMILES Cc1cccc(n1)C#Cc1ncn-2c1COc1ccccc-21
Show InChI InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3
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213n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071367
PNG
(CHEMBL3410218)
Show SMILES Cc1nc(cn1-c1cccc(c1)S(C)(=O)=O)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3
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252n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071327
PNG
(CHEMBL3410212)
Show SMILES C1Oc2ccccc2-n2cnc(C#Cc3cccnc3)c12
Show InChI InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2
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255n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071377
PNG
(CHEMBL3407528)
Show SMILES CN1Cc2c(ncn2-c2ccc(F)cc2C1=O)C#Cc1ccccc1
Show InChI InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3
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368n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071378
PNG
(CHEMBL3410225)
Show SMILES Fc1ccc-2c(c1)-c1ncnn1Cc1c(ncn-21)C#Cc1ccccc1
Show InChI InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2
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559n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071368
PNG
(CHEMBL3410219)
Show SMILES Cc1nc(cn1-c1ccc(cc1)S(C)(=O)=O)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3
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567n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071373
PNG
(CHEMBL3410222)
Show SMILES CN1Cc2c(ncn2-c2cccc(Cl)c2C1=O)C#Cc1ccccc1
Show InChI InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3
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1.44E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071323
PNG
(CHEMBL3410208)
Show SMILES Cc1ccccc1C#Cc1ncn-2c1COc1ccccc-21
Show InChI InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3
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1.77E+3n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071325
PNG
(CHEMBL3410210)
Show SMILES Cc1ccc(cc1)C#Cc1ncn-2c1COc1ccccc-21
Show InChI InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3
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Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2685
PNG
(3-(1H-indol-3-yl)-4-{1-[2-(piperidin-2-yl)ethyl]-1...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCC2CCCCN2)c2ccccc12 |c:5|
Show InChI InChI=1S/C27H26N4O2/c32-26-24(20-15-29-22-10-3-1-8-18(20)22)25(27(33)30-26)21-16-31(23-11-4-2-9-19(21)23)14-12-17-7-5-6-13-28-17/h1-4,8-11,15-17,28-29H,5-7,12-14H2,(H,30,32,33)
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Laboratoires Glaxo



Assay Description
The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071374
PNG
(BASIMGLURANT | Basimglurant | RG-7090 | RO-4917523)
Show SMILES Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1
Show InChI InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3
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Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071328
PNG
(CHEMBL3410213)
Show SMILES Cc1cc(ccn1)C#Cc1ncn-2c1COc1ccccc-21
Show InChI InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3
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Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071375
PNG
(CHEMBL3410223)
Show SMILES Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3
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Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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Laboratoires Glaxo



Assay Description
The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071332
PNG
(CHEMBL3410214)
Show SMILES Cc1nc(C#Cc2ccccc2)c2COc3ccccc3-n12
Show InChI InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3
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Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071369
PNG
(CHEMBL3410220)
Show SMILES Cc1nc(cn1-c1cccc(F)c1)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3
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Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071333
PNG
(CHEMBL3410215)
Show SMILES Cc1nc(cn1-c1ccccc1)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3
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Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2694
PNG
(3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl...)
Show SMILES CN1CCCC1CCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:12|
Show InChI InChI=1S/C27H26N4O2/c1-30-13-6-7-17(30)12-14-31-16-21(19-9-3-5-11-23(19)31)25-24(26(32)29-27(25)33)20-15-28-22-10-4-2-8-18(20)22/h2-5,8-11,15-17,28H,6-7,12-14H2,1H3,(H,29,32,33)
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Laboratoires Glaxo



Assay Description
The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071376
PNG
(CHEMBL3410224)
Show SMILES Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1F |(1.89,3.88,;2.81,3.06,;4.31,3.38,;5.09,2.05,;6.62,1.89,;8.15,1.73,;9.68,1.58,;10.31,.17,;11.84,.01,;12.74,1.26,;12.12,2.66,;12.84,3.66,;10.58,2.82,;4.06,.91,;4.31,-.3,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.4,-1.39,;,-1.54,;1.33,-.77,;2.4,-1.39,)|
Show InChI InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3
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Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071322
PNG
(CHEMBL3410209)
Show SMILES Cc1cccc(c1)C#Cc1ncn-2c1COc1ccccc-21
Show InChI InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3
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Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2691
PNG
(3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...)
Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7|
Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)
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Laboratoires Glaxo



Assay Description
The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071372
PNG
(CHEMBL1946770)
Show SMILES Cc1nc(cn1-c1ccc(F)cc1)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3
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Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071334
PNG
(CHEMBL3410216)
Show SMILES Cc1nc(cn1-c1cccc(c1)C#N)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3
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Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2681
PNG
(3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:9|
Show InChI InChI=1S/C26H26N4O2/c1-28(2)13-8-14-30-16-20(18-10-5-7-12-22(18)30)24-23(25(31)27-26(24)32)19-15-29(3)21-11-6-4-9-17(19)21/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,27,31,32)
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Laboratoires Glaxo



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2692
PNG
(3-(1H-indol-3-yl)-4-{1-[(1-methylpiperidin-3-yl)me...)
Show SMILES CN1CCCC(Cn2cc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c3ccccc23)C1 |t:10|
Show InChI InChI=1S/C27H26N4O2/c1-30-12-6-7-17(14-30)15-31-16-21(19-9-3-5-11-23(19)31)25-24(26(32)29-27(25)33)20-13-28-22-10-4-2-8-18(20)22/h2-5,8-11,13,16-17,28H,6-7,12,14-15H2,1H3,(H,29,32,33)
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Laboratoires Glaxo



Assay Description
The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2686
PNG
(3-(1H-indol-3-yl)-4-{1-[3-(piperazin-1-yl)propyl]-...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCNCC2)c2ccccc12 |c:5|
Show InChI InChI=1S/C27H27N5O2/c33-26-24(20-16-29-22-8-3-1-6-18(20)22)25(27(34)30-26)21-17-32(23-9-4-2-7-19(21)23)13-5-12-31-14-10-28-11-15-31/h1-4,6-9,16-17,28-29H,5,10-15H2,(H,30,33,34)
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Laboratoires Glaxo



Assay Description
The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2693
PNG
(3-(1H-indol-3-yl)-4-{1-[3-(morpholin-4-yl)propyl]-...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCOCC2)c2ccccc12 |c:5|
Show InChI InChI=1S/C27H26N4O3/c32-26-24(20-16-28-22-8-3-1-6-18(20)22)25(27(33)29-26)21-17-31(23-9-4-2-7-19(21)23)11-5-10-30-12-14-34-15-13-30/h1-4,6-9,16-17,28H,5,10-15H2,(H,29,32,33)
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Laboratoires Glaxo



Assay Description
The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071335
PNG
(CHEMBL3410217)
Show SMILES Cc1nc(cn1-c1ccc(cc1)C#N)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3
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n/an/a 70n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2690
PNG
(3-(1-{2-[(dimethylamino)methyl]propyl}-1H-indol-3-...)
Show SMILES CC(CN(C)C)Cn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:10|
Show InChI InChI=1S/C26H26N4O2/c1-16(13-29(2)3)14-30-15-20(18-9-5-7-11-22(18)30)24-23(25(31)28-26(24)32)19-12-27-21-10-6-4-8-17(19)21/h4-12,15-16,27H,13-14H2,1-3H3,(H,28,31,32)
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n/an/a 80n/an/an/an/an/an/a



Laboratoires Glaxo



Assay Description
The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071371
PNG
(CHEMBL3410221)
Show SMILES Cc1nc(cn1-c1ccc(F)cc1F)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3
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n/an/a 97n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2682
PNG
(3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-[1...)
Show SMILES COCCn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN(C)C)c3ccccc23)c2ccccc12 |t:7|
Show InChI InChI=1S/C28H30N4O3/c1-30(2)13-8-14-31-17-21(19-9-4-6-11-23(19)31)25-26(28(34)29-27(25)33)22-18-32(15-16-35-3)24-12-7-5-10-20(22)24/h4-7,9-12,17-18H,8,13-16H2,1-3H3,(H,29,33,34)
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n/an/a 100n/an/an/an/a7.430



Laboratoires Glaxo



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071367
PNG
(CHEMBL3410218)
Show SMILES Cc1nc(cn1-c1cccc(c1)S(C)(=O)=O)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2583
PNG
(3,4-Bis(3-indolyl)-1H-pyrrole-2,5-dione | 3,4-bis(...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5|
Show InChI InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
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n/an/a 100n/an/an/an/a7.430



Laboratoires Glaxo



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071326
PNG
(CHEMBL3410211)
Show SMILES Cc1cccc(n1)C#Cc1ncn-2c1COc1ccccc-21
Show InChI InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3
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n/an/a 124n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071368
PNG
(CHEMBL3410219)
Show SMILES Cc1nc(cn1-c1ccc(cc1)S(C)(=O)=O)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3
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n/an/a 141n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071324
PNG
(CHEMBL3410207)
Show SMILES C1Oc2ccccc2-n2cnc(C#Cc3ccccc3)c12
Show InChI InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2
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n/an/a 161n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Phosphorylase Kinase


(Oryctolagus cuniculus (rabbit))
BDBM2691
PNG
(3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...)
Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7|
Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)
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n/an/a 180n/an/an/an/an/an/a



Laboratoires Glaxo



Assay Description
The activity of PK is measured by its ability to transfer from [gamma-32P]ATP to phosphorylase b.


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
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