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Compile Data Set for Download or QSAR

Found 324 hits with Last Name = 'rudyk' and Initial = 'h'   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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 1n/an/an/an/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity at NET

Bioorg Med Chem 15: 616-25 (2006)


Article DOI: 10.1016/j.bmc.2006.10.065
BindingDB Entry DOI: 10.7270/Q22B8XPV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM498079
PNG
((5'S)-N-{[5- (Ethylsulfonyl)pyridin- 2-yl]methyl}-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)C(C)c4cnc(s4)C(F)(F)F)c3s2)nc1 |r|
Show InChI InChI=1S/C27H31F3N4O4S3/c1-4-41(36,37)20-6-5-19(31-14-20)13-32-24(35)21-12-18-11-16(2)38-26(23(18)39-21)7-9-34(10-8-26)17(3)22-15-33-25(40-22)27(28,29)30/h5-6,12,14-17H,4,7-11,13H2,1-3H3,(H,32,35)/t16-,17?/m0/s1
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 3.27n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...

US Patent US11008336 (2021)


BindingDB Entry DOI: 10.7270/Q2W380G1
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50586388
PNG
(CHEMBL5081557)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccccc5Cl)CC4)c3s2)cc1
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 4.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM498077
PNG
(N-[4- (Ethylsulfonyl)benzyl]- 5'-methyl-1-{1-[6- (...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)OC4(CCN(CC4)C(C)c4ccc(nc4)C(F)(F)F)c3s2)cc1
Show InChI InChI=1S/C30H34F3N3O4S2/c1-4-42(38,39)24-8-5-21(6-9-24)17-35-28(37)25-16-23-15-19(2)40-29(27(23)41-25)11-13-36(14-12-29)20(3)22-7-10-26(34-18-22)30(31,32)33/h5-10,16,18-20H,4,11-15,17H2,1-3H3,(H,35,37)
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 4.42n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...

US Patent US11008336 (2021)


BindingDB Entry DOI: 10.7270/Q2W380G1
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM498074
PNG
((5′S)—N-[4-(Ethylsulfonyl)benzyl]-5′-m...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)cc1 |r|
Show InChI InChI=1S/C29H33F3N4O4S2/c1-4-42(38,39)23-7-5-20(6-8-23)15-33-26(37)24-14-21-13-18(2)40-28(25(21)41-24)9-11-36(12-10-28)19(3)22-16-34-27(35-17-22)29(30,31)32/h5-8,14,16-19H,4,9-13,15H2,1-3H3,(H,33,37)/t18-,19+/m0/s1
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 5.88n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...

US Patent US11008336 (2021)


BindingDB Entry DOI: 10.7270/Q2W380G1
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM498074
PNG
((5′S)—N-[4-(Ethylsulfonyl)benzyl]-5′-m...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)cc1 |r|
Show InChI InChI=1S/C29H33F3N4O4S2/c1-4-42(38,39)23-7-5-20(6-8-23)15-33-26(37)24-14-21-13-18(2)40-28(25(21)41-24)9-11-36(12-10-28)19(3)22-16-34-27(35-17-22)29(30,31)32/h5-8,14,16-19H,4,9-13,15H2,1-3H3,(H,33,37)/t18-,19+/m0/s1
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 5.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM438836
PNG
(1'-[1-(4- Cyanophenyl)ethyl]- 5,5- spirocyclopropa...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC4(CC4)OC4(CCN(CC4)C(C)c4ccc(cc4)C#N)c3s2)cc1
Show InChI InChI=1S/C32H35N3O4S2/c1-3-41(37,38)27-10-6-24(7-11-27)21-34-30(36)28-18-26-19-31(12-13-31)39-32(29(26)40-28)14-16-35(17-15-32)22(2)25-8-4-23(20-33)5-9-25/h4-11,18,22H,3,12-17,19,21H2,1-2H3,(H,34,36)
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 6n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
His-tagged human RAR-related orphan receptor alpha (hRORa), human RAR-related orphan receptor beta (hRORb), and human RAR-related orphan receptor gam...

US Patent US10603320 (2020)


BindingDB Entry DOI: 10.7270/Q2154M2H
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM498076
PNG
((5'S)-N-{[5- (Ethylsulfonyl)pyridin- 2-yl]methyl}-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(Cc5ccc(cc5F)-c5ncon5)CC4)c3s2)nc1 |r|
Show InChI InChI=1S/C30H32FN5O5S2/c1-3-43(38,39)24-7-6-23(32-16-24)15-33-29(37)26-14-22-12-19(2)41-30(27(22)42-26)8-10-36(11-9-30)17-21-5-4-20(13-25(21)31)28-34-18-40-35-28/h4-7,13-14,16,18-19H,3,8-12,15,17H2,1-2H3,(H,33,37)/t19-/m0/s1
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 6.04n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...

US Patent US11008336 (2021)


BindingDB Entry DOI: 10.7270/Q2W380G1
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM438835
PNG
(N-{[5-(Ethylsulfonyl)pyridin-2-yl]methyl}-1″...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC4(CC4)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r|
Show InChI InChI=1S/C29H32F3N5O4S2/c1-3-43(39,40)22-5-4-21(33-17-22)16-34-25(38)23-12-19-13-27(6-7-27)41-28(24(19)42-23)8-10-37(11-9-28)18(2)20-14-35-26(36-15-20)29(30,31)32/h4-5,12,14-15,17-18H,3,6-11,13,16H2,1-2H3,(H,34,38)/t18-/m1/s1
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 6.40n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
His-tagged human RAR-related orphan receptor alpha (hRORa), human RAR-related orphan receptor beta (hRORb), and human RAR-related orphan receptor gam...

US Patent US10603320 (2020)


BindingDB Entry DOI: 10.7270/Q2154M2H
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM438834
PNG
(N-{[5-(Ethylsulfonyl)pyridin-2-yl]methyl}-5′...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)(C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r|
Show InChI InChI=1S/C29H34F3N5O4S2/c1-5-43(39,40)22-7-6-21(33-17-22)16-34-25(38)23-12-19-13-27(3,4)41-28(24(19)42-23)8-10-37(11-9-28)18(2)20-14-35-26(36-15-20)29(30,31)32/h6-7,12,14-15,17-18H,5,8-11,13,16H2,1-4H3,(H,34,38)/t18-/m1/s1
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 6.96n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
His-tagged human RAR-related orphan receptor alpha (hRORa), human RAR-related orphan receptor beta (hRORb), and human RAR-related orphan receptor gam...

US Patent US10603320 (2020)


BindingDB Entry DOI: 10.7270/Q2154M2H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50199005
PNG
((S)-2-((S)-(2-methoxyphenoxy)(phenyl)methyl)morpho...)
Show SMILES COc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
Show InChI InChI=1S/C18H21NO3/c1-20-15-9-5-6-10-16(15)22-18(14-7-3-2-4-8-14)17-13-19-11-12-21-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1
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 7.93n/an/an/an/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity at NET

Bioorg Med Chem 15: 616-25 (2006)


Article DOI: 10.1016/j.bmc.2006.10.065
BindingDB Entry DOI: 10.7270/Q22B8XPV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50199003
PNG
((R)-1-(10,11-dihydro-dibenzo[b,f]azepin-5-yl)-3-me...)
Show SMILES CNC[C@@H](O)CN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2O/c1-19-12-16(21)13-20-17-8-4-2-6-14(17)10-11-15-7-3-5-9-18(15)20/h2-9,16,19,21H,10-13H2,1H3/t16-/m1/s1
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 8.29n/an/an/an/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity at NET

Bioorg Med Chem 15: 616-25 (2006)


Article DOI: 10.1016/j.bmc.2006.10.065
BindingDB Entry DOI: 10.7270/Q22B8XPV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50121539
PNG
(CHEMBL3616856)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(F)(F)F)C(O)=O |r|
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50199004
PNG
((S,S)-1-cyclopentyl-2-(5-fluoro-2-methoxy-phenyl)-...)
Show SMILES COc1ccc(F)cc1C[C@](O)(C1CCCC1)[C@@H]1CNCCO1
Show InChI InChI=1S/C18H26FNO3/c1-22-16-7-6-15(19)10-13(16)11-18(21,14-4-2-3-5-14)17-12-20-8-9-23-17/h6-7,10,14,17,20-21H,2-5,8-9,11-12H2,1H3/t17-,18-/m0/s1
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 10.8n/an/an/an/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity at NET

Bioorg Med Chem 15: 616-25 (2006)


Article DOI: 10.1016/j.bmc.2006.10.065
BindingDB Entry DOI: 10.7270/Q22B8XPV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM498078
PNG
(N-{[5- (Ethylsulfonyl)pyridin- 2-yl]methyl}-5'- me...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)OC4(CCN(CC4)C(C)c4ccc(nc4)C(F)(F)F)c3s2)nc1
Show InChI InChI=1S/C29H33F3N4O4S2/c1-4-42(38,39)23-7-6-22(33-17-23)16-35-27(37)24-14-21-13-18(2)40-28(26(21)41-24)9-11-36(12-10-28)19(3)20-5-8-25(34-15-20)29(30,31)32/h5-8,14-15,17-19H,4,9-13,16H2,1-3H3,(H,35,37)
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 10.8n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...

US Patent US11008336 (2021)


BindingDB Entry DOI: 10.7270/Q2W380G1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50121540
PNG
(CHEMBL3616857)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(F)F)C(O)=O |r|
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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM498080
PNG
(1-[(1S)-1-(4- Cyanophenyl)ethyl]- N-[4- (ethylsulf...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@@H](C)c4ccc(cc4)C#N)c3s2)cc1 |r|
Show InChI InChI=1S/C30H33N3O4S2/c1-3-39(35,36)26-10-6-23(7-11-26)20-32-29(34)27-18-25-12-17-37-30(28(25)38-27)13-15-33(16-14-30)21(2)24-8-4-22(19-31)5-9-24/h4-11,18,21H,3,12-17,20H2,1-2H3,(H,32,34)/t21-/m0/s1
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 15.8n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...

US Patent US11008336 (2021)


BindingDB Entry DOI: 10.7270/Q2W380G1
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50586396
PNG
(CHEMBL5079705)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)cc1 |r|
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 16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50586395
PNG
(CHEMBL5069696)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4ccc(cc4)C(F)(F)F)c3s2)cc1 |r|
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 16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50586394
PNG
(CHEMBL5078351)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4ccc(cc4)C#N)c3s2)cc1 |r|
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 16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM302860
PNG
((2S)-1-(3-Thienyl)propan-2-ol | US9598431, 3)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r|
Show InChI InChI=1S/C28H32F3N5O4S2/c1-4-42(38,39)22-6-5-21(32-16-22)15-33-25(37)23-12-19-11-17(2)40-27(24(19)41-23)7-9-36(10-8-27)18(3)20-13-34-26(35-14-20)28(29,30)31/h5-6,12-14,16-18H,4,7-11,15H2,1-3H3,(H,33,37)/t17-,18+/m0/s1
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 17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50586389
PNG
(CHEMBL5093568)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(Cl)cc5Cl)CC4)c3s2)cc1
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 27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50121599
PNG
(CHEMBL3616858)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc(N)[nH]1)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(F)(F)F)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(F)(F)F)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(F)F)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc(N)[nH]1)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc[nH]1)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc(C)[nH]1)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(F)F)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1c[nH]nn1)C(O)=O |r|
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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50121652
PNG
(CHEMBL3616851)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc(N)[nH]1)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc(N)[nH]1)C(O)=O |r|
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 |r|
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 3


(Homo sapiens (Human))		BDBM50121538
PNG
(CHEMBL3616855)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc(C)[nH]1)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc([nH]1)C(C)C)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(F)(F)F)C(O)=O |r|
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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50586393
PNG
(CHEMBL5077159)
Show SMILES C[C@@H](N1CCC2(CC1)OCCc1cc(sc21)C(=O)NCc1ccc(cc1)S(C)(=O)=O)c1ccc(cc1)C#N |r|
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 95n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50121651
PNG
(CHEMBL3616850)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(F)F)C(O)=O |r|
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
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 |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1c[nH]nn1)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc(C)[nH]1)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2Sc1nnc[nH]1)C(O)=O |r|
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 |r|
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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50586397
PNG
(CHEMBL5092218)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@H](C)c4ccc(cc4)C#N)c3s2)nc1 |r|
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 139n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-25-hydroxycholesterol from His-Flag-tagged human RORgammat LBD (309 to 508 residues) expressed in Escherichia coli measured afte...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01918
BindingDB Entry DOI: 10.7270/Q2B85D1S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50121654
PNG
(CHEMBL3616853)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1c[nH]nn1)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc[nH]1)C(O)=O |r|
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
Nuclear receptor ROR-beta


(Homo sapiens (Human))		BDBM498081
PNG
((5'S)-N-[4- (Ethylsulfonyl)benzyl]- 5'-methyl-1-{1...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)C(C)c4cnc(nc4C)C(F)(F)F)c3s2)cc1 |r|
Show InChI InChI=1S/C30H35F3N4O4S2/c1-5-43(39,40)23-8-6-21(7-9-23)16-34-27(38)25-15-22-14-18(2)41-29(26(22)42-25)10-12-37(13-11-29)20(4)24-17-35-28(30(31,32)33)36-19(24)3/h6-9,15,17-18,20H,5,10-14,16H2,1-4H3,(H,34,38)/t18-,20?/m0/s1
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US Patent
 151n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...

US Patent US11008336 (2021)


BindingDB Entry DOI: 10.7270/Q2W380G1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))		BDBM50121643
PNG
(CHEMBL3616847)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc[nH]1)C(O)=O |r|
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 [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@H]2Sc1nnc([nH]1)C(C)C)C(O)=O |r|
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
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