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Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'poutiainen' 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
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004836
PNG
(CHEMBL2324047)
Show SMILES Clc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)C1 |r,t:8|
Show InChI InChI=1S/C16H14ClNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m1/s1
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Article
PubMed
n/an/a 0.260n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004877
PNG
(CHEMBL2324088)
Show SMILES COc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)C1 |r,t:9|
Show InChI InChI=1S/C17H17NO2/c1-19-15-9-7-14(8-10-15)17-12-16(20-18-17)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3/t16-/m1/s1
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Article
PubMed
n/an/a 0.290n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004876
PNG
(CHEMBL2324042)
Show SMILES Fc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)C1 |r,t:8|
Show InChI InChI=1S/C16H14FNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m1/s1
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PubMed
n/an/a 0.310n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004875
PNG
(CHEMBL2324086)
Show SMILES COc1cccc(c1)C1=NO[C@H](Cc2ccccc2)C1 |r,t:9|
Show InChI InChI=1S/C17H17NO2/c1-19-15-9-5-8-14(11-15)17-12-16(20-18-17)10-13-6-3-2-4-7-13/h2-9,11,16H,10,12H2,1H3/t16-/m1/s1
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Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004874
PNG
(CHEMBL2324045)
Show SMILES Clc1ccccc1C1=NOC(Cc2ccccc2)O1 |t:8|
Show InChI InChI=1S/C15H12ClNO2/c16-13-9-5-4-8-12(13)15-17-19-14(18-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2
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PubMed
n/an/a 0.520n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004873
PNG
(CHEMBL2324053)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1=NOC(Cc2ccccc2)C1 |t:10|
Show InChI InChI=1S/C16H14N2O3/c19-18(20)14-8-6-13(7-9-14)16-11-15(21-17-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
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Article
PubMed
n/an/a 0.740n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004872
PNG
(CHEMBL2324097)
Show SMILES Oc1cccc(c1)C1=NO[C@H](Cc2ccccc2)C1 |r,t:8|
Show InChI InChI=1S/C16H15NO2/c18-14-8-4-7-13(10-14)16-11-15(19-17-16)9-12-5-2-1-3-6-12/h1-8,10,15,18H,9,11H2/t15-/m1/s1
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Article
PubMed
n/an/a 0.830n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004871
PNG
(CHEMBL2324068)
Show SMILES Fc1ccc(C[C@@H]2CC(=NO2)c2ccc(Cl)cc2)cc1 |r,c:8|
Show InChI InChI=1S/C16H13ClFNO/c17-13-5-3-12(4-6-13)16-10-15(20-19-16)9-11-1-7-14(18)8-2-11/h1-8,15H,9-10H2/t15-/m1/s1
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Article
PubMed
n/an/a 0.870n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004870
PNG
(CHEMBL2324051)
Show SMILES N#Cc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)C1 |r,t:9|
Show InChI InChI=1S/C17H14N2O/c18-12-14-6-8-15(9-7-14)17-11-16(20-19-17)10-13-4-2-1-3-5-13/h1-9,16H,10-11H2/t16-/m1/s1
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Article
PubMed
n/an/a 0.890n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004869
PNG
(CHEMBL2324082)
Show SMILES COc1ccccc1C1=NO[C@H](Cc2ccccc2)C1 |r,t:9|
Show InChI InChI=1S/C17H17NO2/c1-19-17-10-6-5-9-15(17)16-12-14(20-18-16)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3/t14-/m1/s1
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Article
PubMed
n/an/a 0.910n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004868
PNG
(CHEMBL2324044)
Show SMILES Clc1ccccc1C1=NOC(Cc2ccccc2)C1 |t:8|
Show InChI InChI=1S/C16H14ClNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2
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Article
PubMed
n/an/a 0.930n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004865
PNG
(CHEMBL2324104)
Show SMILES Fc1cccc(c1)C1=NO[C@H](Cc2ccccc2)C1 |r,t:8|
Show InChI InChI=1S/C16H14FNO/c17-14-8-4-7-13(10-14)16-11-15(19-18-16)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2/t15-/m1/s1
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Article
PubMed
n/an/a 0.950n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004866
PNG
(CHEMBL2324101)
Show SMILES Fc1ccccc1C1=NO[C@H](Cc2ccccc2)C1 |r,t:8|
Show InChI InChI=1S/C16H14FNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2/t13-/m1/s1
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PubMed
n/an/a 0.950n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004867
PNG
(CHEMBL2324092)
Show SMILES COc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)O1 |r,t:9|
Show InChI InChI=1S/C16H15NO3/c1-18-14-9-7-13(8-10-14)16-17-20-15(19-16)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3/t15-/m1/s1
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PubMed
n/an/a 0.950n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004864
PNG
(CHEMBL2324058)
Show SMILES COc1ccc(cc1)C1=NO[C@H](Cc2cccc(OC)c2)C1 |r,t:9|
Show InChI InChI=1S/C18H19NO3/c1-20-15-8-6-14(7-9-15)18-12-17(22-19-18)11-13-4-3-5-16(10-13)21-2/h3-10,17H,11-12H2,1-2H3/t17-/m1/s1
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PubMed
n/an/a 1.20n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004862
PNG
(CHEMBL2324076)
Show SMILES C([C@@H]1CC(=NO1)c1ccccc1)c1ccccc1 |r,c:3|
Show InChI InChI=1S/C16H15NO/c1-3-7-13(8-4-1)11-15-12-16(17-18-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m1/s1
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PubMed
n/an/a 1.60n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004861
PNG
(CHEMBL2324056)
Show SMILES COc1ccc(cc1)C1=NO[C@H](Cc2ccccc2OC)C1 |r,t:9|
Show InChI InChI=1S/C18H19NO3/c1-20-15-9-7-13(8-10-15)17-12-16(22-19-17)11-14-5-3-4-6-18(14)21-2/h3-10,16H,11-12H2,1-2H3/t16-/m1/s1
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PubMed
n/an/a 1.80n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004860
PNG
(CHEMBL2324095)
Show SMILES Oc1ccccc1C1=NO[C@H](Cc2ccccc2)C1 |r,t:8|
Show InChI InChI=1S/C16H15NO2/c18-16-9-5-4-8-14(16)15-11-13(19-17-15)10-12-6-2-1-3-7-12/h1-9,13,18H,10-11H2/t13-/m1/s1
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PubMed
n/an/a 1.90n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004859
PNG
(CHEMBL2324084)
Show SMILES COc1ccccc1C1=NO[C@H](Cc2ccccc2)O1 |r,t:9|
Show InChI InChI=1S/C16H15NO3/c1-18-14-10-6-5-9-13(14)16-17-20-15(19-16)11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3/t15-/m1/s1
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PubMed
n/an/a 2.10n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50073104
PNG
(CHEMBL3410856)
Show SMILES Cc1c(Cl)c(ccc1N1C2CCC1CC(C)(O)C2)C#N |TLB:16:14:8:10.11,THB:15:14:8:10.11|
Show InChI InChI=1S/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3
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PubMed
n/an/a 2.10n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition


J Med Chem 58: 1569-74 (2015)


Article DOI: 10.1021/jm501995n
BindingDB Entry DOI: 10.7270/Q24X59G2
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50073104
PNG
(CHEMBL3410856)
Show SMILES Cc1c(Cl)c(ccc1N1C2CCC1CC(C)(O)C2)C#N |TLB:16:14:8:10.11,THB:15:14:8:10.11|
Show InChI InChI=1S/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3
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PubMed
n/an/a 2.10n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac...


J Med Chem 58: 1569-74 (2015)


Article DOI: 10.1021/jm501995n
BindingDB Entry DOI: 10.7270/Q24X59G2
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004858
PNG
(CHEMBL2324103)
Show SMILES Fc1ccccc1C1=NOC(Cc2ccccc2)O1 |t:8|
Show InChI InChI=1S/C15H12FNO2/c16-13-9-5-4-8-12(13)15-17-19-14(18-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2
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PubMed
n/an/a 2.80n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116512
PNG
(CHEMBL3609741)
Show SMILES FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H10ClFN2O2/c14-10-5-4-9(7-12(10)19-8-15)17-13(18)11-3-1-2-6-16-11/h1-7H,8H2,(H,17,18)
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n/an/a 3.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116512
PNG
(CHEMBL3609741)
Show SMILES FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H10ClFN2O2/c14-10-5-4-9(7-12(10)19-8-15)17-13(18)11-3-1-2-6-16-11/h1-7H,8H2,(H,17,18)
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n/an/a 3.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116512
PNG
(CHEMBL3609741)
Show SMILES FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H10ClFN2O2/c14-10-5-4-9(7-12(10)19-8-15)17-13(18)11-3-1-2-6-16-11/h1-7H,8H2,(H,17,18)
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n/an/a 3.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116512
PNG
(CHEMBL3609741)
Show SMILES FCOc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H10ClFN2O2/c14-10-5-4-9(7-12(10)19-8-15)17-13(18)11-3-1-2-6-16-11/h1-7H,8H2,(H,17,18)
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n/an/a 3.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116513
PNG
(CHEMBL3609743)
Show SMILES [2H]C([2H])(F)Oc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H11FN2O2/c14-9-18-11-5-3-4-10(8-11)16-13(17)12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17)/i9D2
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n/an/a 3.70n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116513
PNG
(CHEMBL3609743)
Show SMILES [2H]C([2H])(F)Oc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H11FN2O2/c14-9-18-11-5-3-4-10(8-11)16-13(17)12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17)/i9D2
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n/an/a 3.70n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Antagonist activity against pSG5-tagged human androgen receptor expressed in COS1 cells assessed as reduction in receptor-mediated transcriptional ac...


J Med Chem 58: 1569-74 (2015)


Article DOI: 10.1021/jm501995n
BindingDB Entry DOI: 10.7270/Q24X59G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50031313
PNG
(CHEMBL3357575)
Show SMILES Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C21H14ClN3O3/c1-12-5-4-6-14-18(12)21(28)25(20(14)27)17-9-8-13(11-15(17)22)24-19(26)16-7-2-3-10-23-16/h2-11H,1H3,(H,24,26)
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n/an/a 4.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 57: 9130-8 (2014)


Article DOI: 10.1021/jm501245b
BindingDB Entry DOI: 10.7270/Q2SX6FS1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50031313
PNG
(CHEMBL3357575)
Show SMILES Cc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C21H14ClN3O3/c1-12-5-4-6-14-18(12)21(28)25(20(14)27)17-9-8-13(11-15(17)22)24-19(26)16-7-2-3-10-23-16/h2-11H,1H3,(H,24,26)
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n/an/a 4.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 57: 9130-8 (2014)


Article DOI: 10.1021/jm501245b
BindingDB Entry DOI: 10.7270/Q2SX6FS1
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in COS1 cells assessed as relative binding inhibition


J Med Chem 58: 1569-74 (2015)


Article DOI: 10.1021/jm501995n
BindingDB Entry DOI: 10.7270/Q24X59G2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 4.57n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...


J Med Chem 55: 6316-27 (2012)


Article DOI: 10.1021/jm300233k
BindingDB Entry DOI: 10.7270/Q2NS0W1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50293720
PNG
(CHEMBL541754 | N-(3-(difluoromethoxy)phenyl)picoli...)
Show SMILES FC(F)Oc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H10F2N2O2/c14-13(15)19-10-5-3-4-9(8-10)17-12(18)11-6-1-2-7-16-11/h1-8,13H,(H,17,18)
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n/an/a 4.60n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50293720
PNG
(CHEMBL541754 | N-(3-(difluoromethoxy)phenyl)picoli...)
Show SMILES FC(F)Oc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H10F2N2O2/c14-13(15)19-10-5-3-4-9(8-10)17-12(18)11-6-1-2-7-16-11/h1-8,13H,(H,17,18)
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n/an/a 4.60n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116520
PNG
(CHEMBL1300476)
Show SMILES CSc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H12N2OS/c1-17-11-6-4-5-10(9-11)15-13(16)12-7-2-3-8-14-12/h2-9H,1H3,(H,15,16)
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n/an/a 4.90n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116520
PNG
(CHEMBL1300476)
Show SMILES CSc1cccc(NC(=O)c2ccccn2)c1
Show InChI InChI=1S/C13H12N2OS/c1-17-11-6-4-5-10(9-11)15-13(16)12-7-2-3-8-14-12/h2-9H,1H3,(H,15,16)
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n/an/a 4.90n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/a 5.10n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50293721
PNG
(CHEMBL562551 | N-(4-chloro-3-methoxyphenyl)picolin...)
Show SMILES COc1cc(NC(=O)c2ccccn2)ccc1Cl
Show InChI InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
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n/an/a 5.10n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50031312
PNG
(CHEMBL3357574)
Show SMILES Fc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C20H11ClFN3O3/c21-13-10-11(24-18(26)15-6-1-2-9-23-15)7-8-16(13)25-19(27)12-4-3-5-14(22)17(12)20(25)28/h1-10H,(H,24,26)
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n/an/a 5.10n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 57: 9130-8 (2014)


Article DOI: 10.1021/jm501245b
BindingDB Entry DOI: 10.7270/Q2SX6FS1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50031312
PNG
(CHEMBL3357574)
Show SMILES Fc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C20H11ClFN3O3/c21-13-10-11(24-18(26)15-6-1-2-9-23-15)7-8-16(13)25-19(27)12-4-3-5-14(22)17(12)20(25)28/h1-10H,(H,24,26)
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Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]ML128 from rat mGlu4 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis


J Med Chem 57: 9130-8 (2014)


Article DOI: 10.1021/jm501245b
BindingDB Entry DOI: 10.7270/Q2SX6FS1
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004857
PNG
(CHEMBL2324093)
Show SMILES COc1ccc(cc1)C1=NO[C@@H](Cc2ccccc2)O1 |r,t:9|
Show InChI InChI=1S/C16H15NO3/c1-18-14-9-7-13(8-10-14)16-17-20-15(19-16)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3/t15-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116509
PNG
(CHEMBL3609738)
Show SMILES Clc1ccc(NC(=O)c2ccccn2)cc1C#N
Show InChI InChI=1S/C13H8ClN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)
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n/an/a 5.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116509
PNG
(CHEMBL3609738)
Show SMILES Clc1ccc(NC(=O)c2ccccn2)cc1C#N
Show InChI InChI=1S/C13H8ClN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)
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n/an/a 5.30n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116472
PNG
(CHEMBL3609734)
Show SMILES FC(F)Oc1cccc(NC(=O)c2cccc(F)n2)c1
Show InChI InChI=1S/C13H9F3N2O2/c14-11-6-2-5-10(18-11)12(19)17-8-3-1-4-9(7-8)20-13(15)16/h1-7,13H,(H,17,19)
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n/an/a 6.60n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116472
PNG
(CHEMBL3609734)
Show SMILES FC(F)Oc1cccc(NC(=O)c2cccc(F)n2)c1
Show InChI InChI=1S/C13H9F3N2O2/c14-11-6-2-5-10(18-11)12(19)17-8-3-1-4-9(7-8)20-13(15)16/h1-7,13H,(H,17,19)
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n/an/a 6.70n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116461
PNG
(CHEMBL3608323)
Show SMILES COc1cc(NC(=O)c2cccc(F)n2)ccc1Cl
Show InChI InChI=1S/C13H10ClFN2O2/c1-19-11-7-8(5-6-9(11)14)16-13(18)10-3-2-4-12(15)17-10/h2-7H,1H3,(H,16,18)
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n/an/a 7.30n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116508
PNG
(CHEMBL3609737)
Show SMILES Fc1ccc(NC(=O)c2ccccn2)cc1C#N
Show InChI InChI=1S/C13H8FN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)
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n/an/a 7.40n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116461
PNG
(CHEMBL3608323)
Show SMILES COc1cc(NC(=O)c2cccc(F)n2)ccc1Cl
Show InChI InChI=1S/C13H10ClFN2O2/c1-19-11-7-8(5-6-9(11)14)16-13(18)10-3-2-4-12(15)17-10/h2-7H,1H3,(H,16,18)
PDB

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n/an/a 7.40n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50116508
PNG
(CHEMBL3609737)
Show SMILES Fc1ccc(NC(=O)c2ccccn2)cc1C#N
Show InChI InChI=1S/C13H8FN3O/c14-11-5-4-10(7-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Displacement of [3H]N-(4-chloro-3-methoxyphenyl)picolinamide from human mGlu4 receptor expressed in CHO cell membranes incubated for 30 mins by liqui...


Bioorg Med Chem Lett 25: 3956-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.031
BindingDB Entry DOI: 10.7270/Q28C9Z1B
More data for this
Ligand-Target Pair
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