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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'sapmaz' 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
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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US Patent
 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
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
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))		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))		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))		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
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
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
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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 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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50586391
PNG
(CHEMBL5085419)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(cc5)C(F)(F)F)CC4)c3s2)cc1
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 249n/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))		BDBM50586390
PNG
(CHEMBL5081257)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(Cl)cc5)CC4)c3s2)cc1
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 249n/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))		BDBM50586392
PNG
(CHEMBL5082586)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(cc5)C#N)CC4)c3s2)cc1
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 278n/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-alpha


(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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 698n/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-alpha


(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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 1.05E+3n/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-beta


(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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 1.14E+3n/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-alpha


(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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 3.11E+3n/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-alpha


(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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 3.27E+3n/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-alpha


(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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 3.46E+3n/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-beta


(Homo sapiens (Human))		BDBM498082
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(nc4C)C(F)(F)F)c3s2)nc1 |r|
Show InChI InChI=1S/C29H34F3N5O4S2/c1-5-43(39,40)22-7-6-21(33-15-22)14-34-26(38)24-13-20-12-17(2)41-28(25(20)42-24)8-10-37(11-9-28)19(4)23-16-35-27(29(30,31)32)36-18(23)3/h6-7,13,15-17,19H,5,8-12,14H2,1-4H3,(H,34,38)/t17-,19?/m0/s1
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 4.47E+3n/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-beta


(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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 4.84E+3n/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-alpha


(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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 5.68E+3n/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))		BDBM50586398
PNG
(CHEMBL4226176)
Show SMILES Clc1ccc(CN2CCC3(CC2)OCCc2ccsc32)c(Cl)c1
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 6.00E+3n/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-alpha


(Homo sapiens (Human))		BDBM498082
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(nc4C)C(F)(F)F)c3s2)nc1 |r|
Show InChI InChI=1S/C29H34F3N5O4S2/c1-5-43(39,40)22-7-6-21(33-15-22)14-34-26(38)24-13-20-12-17(2)41-28(25(20)42-24)8-10-37(11-9-28)19(4)23-16-35-27(29(30,31)32)36-18(23)3/h6-7,13,15-17,19H,5,8-12,14H2,1-4H3,(H,34,38)/t17-,19?/m0/s1
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 9.53E+3n/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-beta


(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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>1.25E+4n/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-beta


(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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>1.25E+4n/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-beta


(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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>1.25E+4n/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
RAR related orphan receptor B isoform 1


(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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>1.25E+4n/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
RAR related orphan receptor B isoform 1


(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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UniChem
US Patent
>1.25E+4n/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
RAR related orphan receptor B isoform 1


(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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UniChem
US Patent
>1.25E+4n/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-alpha


(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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>1.55E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to RORalpha (unknown origin)

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-alpha


(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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US Patent
 1.93E+4n/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-beta


(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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>2.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to RORbeta (unknown origin)

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-alpha


(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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>2.04E+4n/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-alpha


(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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>2.04E+4n/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-alpha


(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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>2.04E+4n/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-beta


(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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>2.27E+4n/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