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Compile Data Set for Download or QSAR

Found 732 hits with Last Name = 'pellicciari' and Initial = 'r'   
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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM21725
PNG
((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...)
Show SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
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37n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mineralocorticoid receptor


J Med Chem 48: 6948-55 (2005)


Article DOI: 10.1021/jm0505056
BindingDB Entry DOI: 10.7270/Q20V8DKV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50226465
PNG
(CHEMBL402063 | E-guggulsterone | pregna-4,17(20)-c...)
Show SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1
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39n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mineralocorticoid receptor


J Med Chem 48: 6948-55 (2005)


Article DOI: 10.1021/jm0505056
BindingDB Entry DOI: 10.7270/Q20V8DKV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50107108
PNG
((1S,2S,3R)-2-(Amino-carboxy-methyl)-3-[2-(9H-xanth...)
Show SMILES NC([C@H]1[C@@H](CCC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C21H21NO5/c22-19(21(25)26)17-14(18(17)20(23)24)10-9-11-12-5-1-3-7-15(12)27-16-8-4-2-6-13(11)16/h1-8,11,14,17-19H,9-10,22H2,(H,23,24)(H,25,26)/t14-,17+,18+,19?/m1/s1
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85n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Antagonistic activity against stimulation of GTP (gamma) 35 S binding by glutamate in membranes from CHO cells expressing human Metabotropic glutamat...


Bioorg Med Chem Lett 11: 3179-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00656-4
BindingDB Entry DOI: 10.7270/Q27M08H1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O
Show InChI InChI=1/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/s2
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160n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat mGluR4 expressed in BHK cells


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O
Show InChI InChI=1/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/s2
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160n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR4 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O
Show InChI InChI=1/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/s2
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160n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat recombinant mGluR4 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50226465
PNG
(CHEMBL402063 | E-guggulsterone | pregna-4,17(20)-c...)
Show SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1
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201n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Progesterone receptor


J Med Chem 48: 6948-55 (2005)


Article DOI: 10.1021/jm0505056
BindingDB Entry DOI: 10.7270/Q20V8DKV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50226465
PNG
(CHEMBL402063 | E-guggulsterone | pregna-4,17(20)-c...)
Show SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1
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224n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Glucorticoid receptor


J Med Chem 48: 6948-55 (2005)


Article DOI: 10.1021/jm0505056
BindingDB Entry DOI: 10.7270/Q20V8DKV
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM21725
PNG
((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...)
Show SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
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224n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Progesterone receptor


J Med Chem 48: 6948-55 (2005)


Article DOI: 10.1021/jm0505056
BindingDB Entry DOI: 10.7270/Q20V8DKV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50226465
PNG
(CHEMBL402063 | E-guggulsterone | pregna-4,17(20)-c...)
Show SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1
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240n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Androgen receptor


J Med Chem 48: 6948-55 (2005)


Article DOI: 10.1021/jm0505056
BindingDB Entry DOI: 10.7270/Q20V8DKV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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250n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM21725
PNG
((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...)
Show SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
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252n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Glucorticoid receptor


J Med Chem 48: 6948-55 (2005)


Article DOI: 10.1021/jm0505056
BindingDB Entry DOI: 10.7270/Q20V8DKV
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM21725
PNG
((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...)
Show SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
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315n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Androgen receptor


J Med Chem 48: 6948-55 (2005)


Article DOI: 10.1021/jm0505056
BindingDB Entry DOI: 10.7270/Q20V8DKV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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390n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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570n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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1.16E+3n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR5 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR4 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8 (mGlu8)


(Rattus norvegicus (Rat))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O
Show InChI InChI=1/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/s2
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1.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from rat recombinant mGluR8 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 8 (mGlu8)


(Rattus norvegicus (Rat))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O
Show InChI InChI=1/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/s2
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1.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from rat mGluR8 expressed in BHK cells


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50236570
PNG
(CHEMBL4072206)
Show SMILES BrCCCc1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C11H10Br2N2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2
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2.18E+3n/an/an/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherich...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50236570
PNG
(CHEMBL4072206)
Show SMILES BrCCCc1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C11H10Br2N2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2
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2.22E+3n/an/an/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherich...


J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LAP4 from mGluR4 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50107109
PNG
((1S,2S,3R)-2-(Amino-carboxy-methyl)-3-(9H-xanthen-...)
Show SMILES NC([C@H]1[C@@H](CC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-18(20(24)25)16-13(17(16)19(22)23)9-12-10-5-1-3-7-14(10)26-15-8-4-2-6-11(12)15/h1-8,12-13,16-18H,9,21H2,(H,22,23)(H,24,25)/t13-,16+,17+,18?/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Antagonistic activity against stimulation of GTP (gamma) 35 S binding by glutamate in membranes from CHO cells expressing human Metabotropic glutamat...


Bioorg Med Chem Lett 11: 3179-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00656-4
BindingDB Entry DOI: 10.7270/Q27M08H1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat mGluR4 expressed in BHK cells


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8 (mGlu8)


(Rattus norvegicus (Rat))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from rat recombinant mGluR8 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat recombinant mGluR4 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8 (mGlu8)


(Rattus norvegicus (Rat))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from rat mGluR8 expressed in BHK cells


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM21725
PNG
((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...)
Show SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesoid X receptor


J Med Chem 48: 6948-55 (2005)


Article DOI: 10.1021/jm0505056
BindingDB Entry DOI: 10.7270/Q20V8DKV
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50226465
PNG
(CHEMBL402063 | E-guggulsterone | pregna-4,17(20)-c...)
Show SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Farnesoid X receptor


J Med Chem 48: 6948-55 (2005)


Article DOI: 10.1021/jm0505056
BindingDB Entry DOI: 10.7270/Q20V8DKV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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6.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR2 receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50175072
PNG
((S)-2-amino-2-((1R,2S)-2-phosphonocyclopropyl)acet...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4-/m0/s1
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7.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat mGluR4 expressed in BHK cells


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50207814
PNG
((2S,1'R,2'S)-2-(2'-phosphonocyclopropyl)glycine | ...)
Show SMILES NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4?/m0/s1
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7.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat recombinant mGluR4 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from mGluR2 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50207811
PNG
((2S,1'R,2'S,3'R)-2-(2'-phosphono-3'-phenylcyclopro...)
Show SMILES NC([C@H]1[C@@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C11H14NO5P/c12-9(11(13)14)8-7(10(8)18(15,16)17)6-4-2-1-3-5-6/h1-5,7-10H,12H2,(H,13,14)(H2,15,16,17)/t7-,8+,9?,10-/m0/s1
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2.40E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat recombinant mGluR4 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50220148
PNG
((2S,1'R,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4-/m0/s1
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3.40E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50407819
PNG
(CHEMBL2115152)
Show SMILES N[C@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9-,10-/m1/s1
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4.40E+4n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Binding affinity towards metabotropic glutamate receptor mGluR1


J Med Chem 39: 2259-69 (1996)


Article DOI: 10.1021/jm960059+
BindingDB Entry DOI: 10.7270/Q2Z60N5G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50220148
PNG
((2S,1'R,2'S)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4-/m0/s1
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4.90E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50030627
PNG
((+-)-MCPG | (R,S)-alpha-Methyl-4-carboxyphenylglyc...)
Show SMILES CC(N)(C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)
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5.00E+4n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Binding affinity towards mGluR1a was determined


J Med Chem 39: 2259-69 (1996)


Article DOI: 10.1021/jm960059+
BindingDB Entry DOI: 10.7270/Q2Z60N5G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50076393
PNG
((1S,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-phenyl-c...)
Show SMILES N[C@@H]([C@@H]1[C@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10+/m1/s1
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5.00E+4n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards metabotropic glutamate receptor mGluR4a


J Med Chem 39: 2259-69 (1996)


Article DOI: 10.1021/jm960059+
BindingDB Entry DOI: 10.7270/Q2Z60N5G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50220147
PNG
((S)-2-amino-4-sulfobutanoic acid | CHEMBL230951 | ...)
Show SMILES N[C@@H](CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/s2
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5.30E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LAP4 from mGluR4 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50175073
PNG
((S)-2-amino-2-((1S,2R)-2-phosphonocyclopropyl)acet...)
Show SMILES N[C@@H]([C@@H]1C[C@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4+/m1/s1
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5.30E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat mGluR4 expressed in BHK cells


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50220147
PNG
((S)-2-amino-4-sulfobutanoic acid | CHEMBL230951 | ...)
Show SMILES N[C@@H](CCS(O)(=O)=O)C(O)=O
Show InChI InChI=1/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/s2
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5.40E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8 (mGlu8)


(Rattus norvegicus (Rat))
BDBM50175073
PNG
((S)-2-amino-2-((1S,2R)-2-phosphonocyclopropyl)acet...)
Show SMILES N[C@@H]([C@@H]1C[C@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4+/m1/s1
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5.40E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from rat mGluR8 expressed in BHK cells


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50220154
PNG
((2R,1'R,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3+,4+/m0/s1
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5.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50254389
PNG
((2S)-2-(3'-Carboxymethylbicyclo[1.1.1]pentyl)glyci...)
Show SMILES N[C@@H](CC12CC(CC(O)=O)(C1)C2)C(O)=O
Show InChI InChI=1/C10H15NO4/c11-6(8(14)15)1-9-3-10(4-9,5-9)2-7(12)13/h6H,1-5,11H2,(H,12,13)(H,14,15)/t6-,9?,10?/s2
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5.90E+4n/an/an/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Displacement of [3H]Quisqualate from human mGluR1A receptor expressed in BHK cells


Bioorg Med Chem 17: 242-50 (2008)


Article DOI: 10.1016/j.bmc.2008.11.015
BindingDB Entry DOI: 10.7270/Q2HD7WKF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50407823
PNG
(CHEMBL2114116)
Show SMILES N[C@@H]([C@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9+,10-/m0/s1
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6.00E+4n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Binding affinity towards metabotropic glutamate receptor mGluR1


J Med Chem 39: 2259-69 (1996)


Article DOI: 10.1021/jm960059+
BindingDB Entry DOI: 10.7270/Q2Z60N5G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8 (mGlu8)


(Rattus norvegicus (Rat))
BDBM50207814
PNG
((2S,1'R,2'S)-2-(2'-phosphonocyclopropyl)glycine | ...)
Show SMILES NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4?/m0/s1
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6.30E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from rat recombinant mGluR8 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8 (mGlu8)


(Rattus norvegicus (Rat))
BDBM50175072
PNG
((S)-2-amino-2-((1R,2S)-2-phosphonocyclopropyl)acet...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4-/m0/s1
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6.30E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from rat mGluR8 expressed in BHK cells


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50220150
PNG
((2R,1'S,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4-/m1/s1
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6.70E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50220149
PNG
((2S,1'S,2'R)-2-(2'-sulfonocyclopropyl)glycine | CH...)
Show SMILES N[C@@H]([C@@H]1C[C@H]1S(O)(=O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4+/m1/s1
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7.70E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells


J Med Chem 50: 4630-41 (2007)


Article DOI: 10.1021/jm070322e
BindingDB Entry DOI: 10.7270/Q2DF6S12
More data for this
Ligand-Target Pair
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