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Compile Data Set for Download or QSAR

Found 646 hits with Last Name = 'swanson' and Initial = 's'   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060725
PNG
(2-[1,4']Bipiperidinyl-1'-yl-1-[2-(4-chloro-phenoxy...)
Show SMILES Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC[C@@H]2CCCNC2)cc1
Show InChI InChI=1S/C35H47ClN4O2/c36-28-12-14-30(15-13-28)42-26-33-35(34(41)25-38-22-16-29(17-23-38)39-19-4-1-5-20-39)31-10-2-3-11-32(31)40(33)21-7-9-27-8-6-18-37-24-27/h2-3,10-15,27,29,37H,1,4-9,16-26H2/t27-/m0/s1
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0.75n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Neuropeptide Y receptor type 1 expressed in AV-12 cells


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060726
PNG
(2-[1,4']Bipiperidinyl-1'-yl-1-[2-(4-chloro-phenoxy...)
Show SMILES Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC[C@H]2CCCNC2)cc1
Show InChI InChI=1S/C35H47ClN4O2/c36-28-12-14-30(15-13-28)42-26-33-35(34(41)25-38-22-16-29(17-23-38)39-19-4-1-5-20-39)31-10-2-3-11-32(31)40(33)21-7-9-27-8-6-18-37-24-27/h2-3,10-15,27,29,37H,1,4-9,16-26H2/t27-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Neuropeptide Y receptor type 1 expressed in AV-12 cells


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060725
PNG
(2-[1,4']Bipiperidinyl-1'-yl-1-[2-(4-chloro-phenoxy...)
Show SMILES Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC[C@@H]2CCCNC2)cc1
Show InChI InChI=1S/C35H47ClN4O2/c36-28-12-14-30(15-13-28)42-26-33-35(34(41)25-38-22-16-29(17-23-38)39-19-4-1-5-20-39)31-10-2-3-11-32(31)40(33)21-7-9-27-8-6-18-37-24-27/h2-3,10-15,27,29,37H,1,4-9,16-26H2/t27-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability of the compound to reverse Neuropeptide Y receptor type 1-induced inhibition of forskolin-induced inhibition of forskolin-stimulated cAMP


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060724
PNG
(2-[1,4']Bipiperidinyl-1'-yl-1-[2-(4-chloro-phenoxy...)
Show SMILES Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC2CCNCC2)cc1
Show InChI InChI=1S/C34H45ClN4O2/c35-27-8-10-29(11-9-27)41-25-32-34(33(40)24-37-21-15-28(16-22-37)38-19-4-1-5-20-38)30-6-2-3-7-31(30)39(32)23-14-26-12-17-36-18-13-26/h2-3,6-11,26,28,36H,1,4-5,12-25H2
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1.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Neuropeptide Y receptor type 1 expressed in AV-12 cells


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50204261
PNG
(CHEMBL3969063)
Show SMILES N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](Sc2nc[nH]n2)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)/t9-,10-,11-,12-,13+,17+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060721
PNG
(2-(4-Chloro-phenoxymethyl)-1-methyl-3-(2-piperidin...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CCN2CCCCC2)c2ccccc12
Show InChI InChI=1S/C23H27ClN2O/c1-25-22-8-4-3-7-20(22)21(13-16-26-14-5-2-6-15-26)23(25)17-27-19-11-9-18(24)10-12-19/h3-4,7-12H,2,5-6,13-17H2,1H3
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4.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Neuropeptide Y receptor type 1 expressed in AV-12 cells


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50204261
PNG
(CHEMBL3969063)
Show SMILES N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](Sc2nc[nH]n2)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)/t9-,10-,11-,12-,13+,17+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121539
PNG
(CHEMBL3616856)
Show SMILES N[C@]1(C[C@H](Sc2nnc([nH]2)C(F)(F)F)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H11F3N4O4S/c12-11(13,14)7-16-9(18-17-7)23-2-1-10(15,8(21)22)5-3(2)4(5)6(19)20/h2-5H,1,15H2,(H,19,20)(H,21,22)(H,16,17,18)/t2-,3-,4-,5-,10-/m0/s1
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8.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121540
PNG
(CHEMBL3616857)
Show SMILES N[C@]1(C[C@H](Sc2nnc([nH]2)C(F)F)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H12F2N4O4S/c12-6(13)7-15-10(17-16-7)22-2-1-11(14,9(20)21)5-3(2)4(5)8(18)19/h2-6H,1,14H2,(H,18,19)(H,20,21)(H,15,16,17)/t2-,3-,4-,5-,11-/m0/s1
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13n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50267297
PNG
(CHEMBL507731 | Methyl (S)-1-((2S,4S,5S)-5-((S)-2-(...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2ccccc2)C1=O)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C
Show InChI InChI=1S/C47H60N6O6/c1-46(2,3)40(51-44(57)59-7)42(55)49-36(28-33-21-23-35(24-22-33)37-20-14-15-25-48-37)30-39(54)38(29-32-16-10-8-11-17-32)50-43(56)41(47(4,5)6)53-27-26-52(45(53)58)31-34-18-12-9-13-19-34/h8-25,36,38-41,54H,26-31H2,1-7H3,(H,49,55)(H,50,56)(H,51,57)/t36-,38-,39-,40+,41+/m0/s1
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) assessed as midazolam 1'- hydroxylation


J Med Chem 52: 2571-86 (2009)


Article DOI: 10.1021/jm900044w
BindingDB Entry DOI: 10.7270/Q2G160Q0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50204257
PNG
(CHEMBL3947221)
Show SMILES N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](O)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11-,12+,15+/m0/s1
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20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060722
PNG
(2-[1,4']Bipiperidinyl-1'-yl-1-[2-(4-chloro-phenoxy...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(C(=O)CN2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C28H34ClN3O2/c1-30-25-8-4-3-7-24(25)28(26(30)20-34-23-11-9-21(29)10-12-23)27(33)19-31-17-13-22(14-18-31)32-15-5-2-6-16-32/h3-4,7-12,22H,2,5-6,13-20H2,1H3
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26n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Neuropeptide Y receptor type 1 expressed in AV-12 cells


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121599
PNG
(CHEMBL3616858)
Show SMILES Nc1nnc(S[C@H]2C[C@](N)([C@H]3[C@@H]2[C@@H]3C(O)=O)C(O)=O)[nH]1
Show InChI InChI=1S/C10H13N5O4S/c11-8-13-9(15-14-8)20-2-1-10(12,7(18)19)5-3(2)4(5)6(16)17/h2-5H,1,12H2,(H,16,17)(H,18,19)(H3,11,13,14,15)/t2-,3-,4-,5-,10-/m0/s1
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28n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121539
PNG
(CHEMBL3616856)
Show SMILES N[C@]1(C[C@H](Sc2nnc([nH]2)C(F)(F)F)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H11F3N4O4S/c12-11(13,14)7-16-9(18-17-7)23-2-1-10(15,8(21)22)5-3(2)4(5)6(19)20/h2-5H,1,15H2,(H,19,20)(H,21,22)(H,16,17,18)/t2-,3-,4-,5-,10-/m0/s1
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43n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121647
PNG
(CHEMBL3616849)
Show SMILES N[C@]1(C[C@@H](Sc2nnc([nH]2)C(F)(F)F)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H11F3N4O4S/c12-11(13,14)7-16-9(18-17-7)23-2-1-10(15,8(21)22)5-3(2)4(5)6(19)20/h2-5H,1,15H2,(H,19,20)(H,21,22)(H,16,17,18)/t2-,3+,4+,5+,10+/m1/s1
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57n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121540
PNG
(CHEMBL3616857)
Show SMILES N[C@]1(C[C@H](Sc2nnc([nH]2)C(F)F)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H12F2N4O4S/c12-6(13)7-15-10(17-16-7)22-2-1-11(14,9(20)21)5-3(2)4(5)8(18)19/h2-6H,1,14H2,(H,18,19)(H,20,21)(H,15,16,17)/t2-,3-,4-,5-,11-/m0/s1
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58n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121652
PNG
(CHEMBL3616851)
Show SMILES Nc1nnc(S[C@@H]2C[C@](N)([C@H]3[C@@H]2[C@@H]3C(O)=O)C(O)=O)[nH]1
Show InChI InChI=1S/C10H13N5O4S/c11-8-13-9(15-14-8)20-2-1-10(12,7(18)19)5-3(2)4(5)6(16)17/h2-5H,1,12H2,(H,16,17)(H,18,19)(H3,11,13,14,15)/t2-,3+,4+,5+,10+/m1/s1
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58n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121655
PNG
(CHEMBL3616854)
Show SMILES N[C@]1(C[C@H](Sc2nnc[nH]2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H12N4O4S/c11-10(8(17)18)1-3(19-9-12-2-13-14-9)4-5(6(4)10)7(15)16/h2-6H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)/t3-,4-,5-,6-,10-/m0/s1
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60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121646
PNG
(CHEMBL3616848)
Show SMILES Cc1nnc(S[C@@H]2C[C@](N)([C@H]3[C@@H]2[C@@H]3C(O)=O)C(O)=O)[nH]1
Show InChI InChI=1S/C11H14N4O4S/c1-3-13-10(15-14-3)20-4-2-11(12,9(18)19)7-5(4)6(7)8(16)17/h4-7H,2,12H2,1H3,(H,16,17)(H,18,19)(H,13,14,15)/t4-,5+,6+,7+,11+/m1/s1
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62n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121651
PNG
(CHEMBL3616850)
Show SMILES N[C@]1(C[C@@H](Sc2nnc([nH]2)C(F)F)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H12F2N4O4S/c12-6(13)7-15-10(17-16-7)22-2-1-11(14,9(20)21)5-3(2)4(5)8(18)19/h2-6H,1,14H2,(H,18,19)(H,20,21)(H,15,16,17)/t2-,3+,4+,5+,11+/m1/s1
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63n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121642
PNG
(CHEMBL3616860)
Show SMILES N[C@]1(C[C@H](Sc2c[nH]nn2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H12N4O4S/c11-10(9(17)18)1-3(19-4-2-12-14-13-4)5-6(7(5)10)8(15)16/h2-3,5-7H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)/t3-,5-,6-,7-,10-/m0/s1
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65n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50267295
PNG
(CHEMBL470508 | Methyl (S)-1-((2R,4S,5S)-4-Hydroxy-...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2cccc(n2)C(C)(C)O)C1=O)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C
Show InChI InChI=1S/C49H65N7O7/c1-47(2,3)41(54-45(60)63-9)43(58)52-36(28-33-21-23-34(24-22-33)37-19-13-14-25-50-37)30-39(57)38(29-32-16-11-10-12-17-32)53-44(59)42(48(4,5)6)56-27-26-55(46(56)61)31-35-18-15-20-40(51-35)49(7,8)62/h10-25,36,38-39,41-42,57,62H,26-31H2,1-9H3,(H,52,58)(H,53,59)(H,54,60)/t36-,38+,39+,41-,42-/m1/s1
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66n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) assessed as midazolam 1'- hydroxylation


J Med Chem 52: 2571-86 (2009)


Article DOI: 10.1021/jm900044w
BindingDB Entry DOI: 10.7270/Q2G160Q0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121652
PNG
(CHEMBL3616851)
Show SMILES Nc1nnc(S[C@@H]2C[C@](N)([C@H]3[C@@H]2[C@@H]3C(O)=O)C(O)=O)[nH]1
Show InChI InChI=1S/C10H13N5O4S/c11-8-13-9(15-14-8)20-2-1-10(12,7(18)19)5-3(2)4(5)6(16)17/h2-5H,1,12H2,(H,16,17)(H,18,19)(H3,11,13,14,15)/t2-,3+,4+,5+,10+/m1/s1
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67n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121599
PNG
(CHEMBL3616858)
Show SMILES Nc1nnc(S[C@H]2C[C@](N)([C@H]3[C@@H]2[C@@H]3C(O)=O)C(O)=O)[nH]1
Show InChI InChI=1S/C10H13N5O4S/c11-8-13-9(15-14-8)20-2-1-10(12,7(18)19)5-3(2)4(5)6(16)17/h2-5H,1,12H2,(H,16,17)(H,18,19)(H3,11,13,14,15)/t2-,3-,4-,5-,10-/m0/s1
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69n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50056272
PNG
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)
Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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72n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50204269
PNG
(CHEMBL3909237)
Show SMILES N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@@H](O)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11+,12+,15+/m0/s1
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76n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121538
PNG
(CHEMBL3616855)
Show SMILES Cc1nnc(S[C@H]2C[C@](N)([C@H]3[C@@H]2[C@@H]3C(O)=O)C(O)=O)[nH]1
Show InChI InChI=1S/C11H14N4O4S/c1-3-13-10(15-14-3)20-4-2-11(12,9(18)19)7-5(4)6(7)8(16)17/h4-7H,2,12H2,1H3,(H,16,17)(H,18,19)(H,13,14,15)/t4-,5-,6-,7-,11-/m0/s1
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79n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121641
PNG
(CHEMBL3616859)
Show SMILES CC(C)c1nnc(S[C@H]2C[C@](N)([C@H]3[C@@H]2[C@@H]3C(O)=O)C(O)=O)[nH]1
Show InChI InChI=1S/C13H18N4O4S/c1-4(2)9-15-12(17-16-9)22-5-3-13(14,11(20)21)8-6(5)7(8)10(18)19/h4-8H,3,14H2,1-2H3,(H,18,19)(H,20,21)(H,15,16,17)/t5-,6-,7-,8-,13-/m0/s1
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83n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121647
PNG
(CHEMBL3616849)
Show SMILES N[C@]1(C[C@@H](Sc2nnc([nH]2)C(F)(F)F)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H11F3N4O4S/c12-11(13,14)7-16-9(18-17-7)23-2-1-10(15,8(21)22)5-3(2)4(5)6(19)20/h2-5H,1,15H2,(H,19,20)(H,21,22)(H,16,17,18)/t2-,3+,4+,5+,10+/m1/s1
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84n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060720
PNG
(1'-{2-[2-(4-Chloro-phenoxymethyl)-1-methyl-1H-indo...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(CCN2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C28H36ClN3O/c1-30-27-8-4-3-7-25(27)26(28(30)21-33-24-11-9-22(29)10-12-24)15-20-31-18-13-23(14-19-31)32-16-5-2-6-17-32/h3-4,7-12,23H,2,5-6,13-21H2,1H3
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93n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Neuropeptide Y receptor type 1 expressed in AV-12 cells


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121651
PNG
(CHEMBL3616850)
Show SMILES N[C@]1(C[C@@H](Sc2nnc([nH]2)C(F)F)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C11H12F2N4O4S/c12-6(13)7-15-10(17-16-7)22-2-1-11(14,9(20)21)5-3(2)4(5)8(18)19/h2-6H,1,14H2,(H,18,19)(H,20,21)(H,15,16,17)/t2-,3+,4+,5+,11+/m1/s1
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96n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060730
PNG
(1'-[2-(4-Chloro-phenoxymethyl)-1-(2-piperidin-1-yl...)
Show SMILES Clc1ccc(OCc2c(CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCN2CCCCC2)cc1
Show InChI InChI=1S/C33H45ClN4O/c34-27-11-13-29(14-12-27)39-26-33-31(25-36-21-15-28(16-22-36)37-19-7-2-8-20-37)30-9-3-4-10-32(30)38(33)24-23-35-17-5-1-6-18-35/h3-4,9-14,28H,1-2,5-8,15-26H2
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98n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Neuropeptide Y receptor type 1 expressed in AV-12 cells


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50056272
PNG
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)
Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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107n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121642
PNG
(CHEMBL3616860)
Show SMILES N[C@]1(C[C@H](Sc2c[nH]nn2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H12N4O4S/c11-10(9(17)18)1-3(19-4-2-12-14-13-4)5-6(7(5)10)8(15)16/h2-3,5-7H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)/t3-,5-,6-,7-,10-/m0/s1
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111n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121646
PNG
(CHEMBL3616848)
Show SMILES Cc1nnc(S[C@@H]2C[C@](N)([C@H]3[C@@H]2[C@@H]3C(O)=O)C(O)=O)[nH]1
Show InChI InChI=1S/C11H14N4O4S/c1-3-13-10(15-14-3)20-4-2-11(12,9(18)19)7-5(4)6(7)8(16)17/h4-7H,2,12H2,1H3,(H,16,17)(H,18,19)(H,13,14,15)/t4-,5+,6+,7+,11+/m1/s1
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121n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121655
PNG
(CHEMBL3616854)
Show SMILES N[C@]1(C[C@H](Sc2nnc[nH]2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H12N4O4S/c11-10(8(17)18)1-3(19-9-12-2-13-14-9)4-5(6(4)10)7(15)16/h2-6H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)/t3-,4-,5-,6-,10-/m0/s1
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126n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
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138n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121654
PNG
(CHEMBL3616853)
Show SMILES N[C@]1(C[C@@H](Sc2c[nH]nn2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H12N4O4S/c11-10(9(17)18)1-3(19-4-2-12-14-13-4)5-6(7(5)10)8(15)16/h2-3,5-7H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)/t3-,5+,6+,7+,10+/m1/s1
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142n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121643
PNG
(CHEMBL3616847)
Show SMILES N[C@]1(C[C@@H](Sc2nnc[nH]2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H12N4O4S/c11-10(8(17)18)1-3(19-9-12-2-13-14-9)4-5(6(4)10)7(15)16/h2-6H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)/t3-,4+,5+,6+,10+/m1/s1
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144n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121643
PNG
(CHEMBL3616847)
Show SMILES N[C@]1(C[C@@H](Sc2nnc[nH]2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H12N4O4S/c11-10(8(17)18)1-3(19-9-12-2-13-14-9)4-5(6(4)10)7(15)16/h2-6H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)/t3-,4+,5+,6+,10+/m1/s1
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156n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121653
PNG
(CHEMBL3616852)
Show SMILES CC(C)c1nnc(S[C@@H]2C[C@](N)([C@H]3[C@@H]2[C@@H]3C(O)=O)C(O)=O)[nH]1
Show InChI InChI=1S/C13H18N4O4S/c1-4(2)9-15-12(17-16-9)22-5-3-13(14,11(20)21)8-6(5)7(8)10(18)19/h4-8H,3,14H2,1-2H3,(H,18,19)(H,20,21)(H,15,16,17)/t5-,6+,7+,8+,13+/m1/s1
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157n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50434132
PNG
(CHEMBL2381642)
Show SMILES N[C@]1(C[C@@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2-,3+,4+,5+,8+/m1/s1
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166n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121538
PNG
(CHEMBL3616855)
Show SMILES Cc1nnc(S[C@H]2C[C@](N)([C@H]3[C@@H]2[C@@H]3C(O)=O)C(O)=O)[nH]1
Show InChI InChI=1S/C11H14N4O4S/c1-3-13-10(15-14-3)20-4-2-11(12,9(18)19)7-5(4)6(7)8(16)17/h4-7H,2,12H2,1H3,(H,16,17)(H,18,19)(H,13,14,15)/t4-,5-,6-,7-,11-/m0/s1
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171n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50434133
PNG
(CHEMBL2381643)
Show SMILES N[C@]1(C[C@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2-,3-,4-,5-,8-/m0/s1
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230n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50121654
PNG
(CHEMBL3616853)
Show SMILES N[C@]1(C[C@@H](Sc2c[nH]nn2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C10H12N4O4S/c11-10(9(17)18)1-3(19-4-2-12-14-13-4)5-6(7(5)10)8(15)16/h2-3,5-7H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)/t3-,5+,6+,7+,10+/m1/s1
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259n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121653
PNG
(CHEMBL3616852)
Show SMILES CC(C)c1nnc(S[C@@H]2C[C@](N)([C@H]3[C@@H]2[C@@H]3C(O)=O)C(O)=O)[nH]1
Show InChI InChI=1S/C13H18N4O4S/c1-4(2)9-15-12(17-16-9)22-5-3-13(14,11(20)21)8-6(5)7(8)10(18)19/h4-8H,3,14H2,1-2H3,(H,18,19)(H,20,21)(H,15,16,17)/t5-,6+,7+,8+,13+/m1/s1
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266n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50434138
PNG
(CHEMBL2381651)
Show SMILES N[C@]1(C[C@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9-,10-,11-,14-/m0/s1
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272n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu3 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50121641
PNG
(CHEMBL3616859)
Show SMILES CC(C)c1nnc(S[C@H]2C[C@](N)([C@H]3[C@@H]2[C@@H]3C(O)=O)C(O)=O)[nH]1
Show InChI InChI=1S/C13H18N4O4S/c1-4(2)9-15-12(17-16-9)22-5-3-13(14,11(20)21)8-6(5)7(8)10(18)19/h4-8H,3,14H2,1-2H3,(H,18,19)(H,20,21)(H,15,16,17)/t5-,6-,7-,8-,13-/m0/s1
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339n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50434139
PNG
(CHEMBL2381650)
Show SMILES N[C@]1(C[C@@H](Sc2ccccc2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
Show InChI InChI=1S/C14H15NO4S/c15-14(13(18)19)6-8(9-10(11(9)14)12(16)17)20-7-4-2-1-3-5-7/h1-5,8-11H,6,15H2,(H,16,17)(H,18,19)/t8-,9+,10+,11+,14+/m1/s1
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420n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-459477 from human recombinant mGlu2 receptor expressed in AV12 cells after 90 mins by liquid scintillation counting


J Med Chem 58: 7526-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01124
BindingDB Entry DOI: 10.7270/Q29S1ST0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060723
PNG
(1-[1,4']Bipiperidinyl-1'-yl-2-[2-(4-chloro-phenoxy...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)c(C(=O)C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C28H32ClN3O3/c1-30-24-8-4-3-7-23(24)26(25(30)19-35-22-11-9-20(29)10-12-22)27(33)28(34)32-17-13-21(14-18-32)31-15-5-2-6-16-31/h3-4,7-12,21H,2,5-6,13-19H2,1H3
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440n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Neuropeptide Y receptor type 1 expressed in AV-12 cells


J Med Chem 40: 3712-4 (1997)


Article DOI: 10.1021/jm970512x
BindingDB Entry DOI: 10.7270/Q2HQ3Z1P
More data for this
Ligand-Target Pair
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