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Patent code US9751873

Compile Data Set for Download or QSAR
Found 161 hits of Enzyme Inhibition Constant Data   
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 (RORC)


(Homo sapiens (Human))		BDBM338460
PNG
((3S,6R)-2-[[2,5-difluoro-4-[(1R,5S)- 6-(1,2,4-tria...)
Show SMILES CC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1C[C@H]2[C@@H](C1)[C@@H]2n1cnnc1
Show InChI InChI=1S/C26H29F2N5O2S/c1-2-19-8-9-25(17-6-4-3-5-7-17)36(34,35)33(19)12-18-10-23(28)24(11-22(18)27)31-13-20-21(14-31)26(20)32-15-29-30-16-32/h3-7,10-11,15-16,19-21,25-26H,2,8-9,12-14H2,1H3/t19-,20-,21+,25+,26+/m0/s1
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Genentech Inc

US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338467
PNG
((7R)-2-[[2,5-difluoro-4-[(1R,5S)- 6-(1,2,4-triazol...)
Show SMILES Fc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3n2cnnc2)c(F)cc1CN1CCCC[C@H](c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C25H27F2N5O2S/c26-21-11-23(30-13-19-20(14-30)25(19)31-15-28-29-16-31)22(27)10-18(21)12-32-9-5-4-8-24(35(32,33)34)17-6-2-1-3-7-17/h1-3,6-7,10-11,15-16,19-20,24-25H,4-5,8-9,12-14H2/t19-,20+,24-,25+/m1/s1
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US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338462
PNG
((3S,6R)-3-ethyl-2-[[2-fluoro-4- [(1R,5S)-6-(1,2,4-...)
Show SMILES CC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1C[C@H]2[C@@H](C1)[C@@H]2n1cnnc1
Show InChI InChI=1S/C26H30FN5O2S/c1-2-20-10-11-25(18-6-4-3-5-7-18)35(33,34)32(20)13-19-8-9-21(12-24(19)27)30-14-22-23(15-30)26(22)31-16-28-29-17-31/h3-9,12,16-17,20,22-23,25-26H,2,10-11,13-15H2,1H3/t20-,22-,23+,25+,26+/m0/s1
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US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338469
PNG
((7R)-2-[[2-fluoro-4-[(1R,5S)-6- (1,2,4-triazol-4-y...)
Show SMILES Fc1cc(ccc1CN1CCCC[C@H](c2ccccc2)S1(=O)=O)N1C[C@H]2[C@@H](C1)[C@@H]2n1cnnc1
Show InChI InChI=1S/C25H28FN5O2S/c26-23-12-20(29-14-21-22(15-29)25(21)30-16-27-28-17-30)10-9-19(23)13-31-11-5-4-8-24(34(31,32)33)18-6-2-1-3-7-18/h1-3,6-7,9-10,12,16-17,21-22,24-25H,4-5,8,11,13-15H2/t21-,22+,24-,25+/m1/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338448
PNG
(2-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)c1ccccc1
Show InChI InChI=1S/C26H27F2NO3S/c1-18-12-13-26(20-10-6-3-7-11-20)33(31,32)29(18)16-21-14-25(28)22(15-24(21)27)23(17-30)19-8-4-2-5-9-19/h2-11,14-15,18,23,26,30H,12-13,16-17H2,1H3/t18-,23?,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338458
PNG
((3S,6R)-2-[[2,5-difluoro-4-[4- (1,2,4-triazol-4-yl...)
Show SMILES CC[C@@H](CC[C@H](c1ccccc1)S(=O)=O)NCc1cc(F)c(cc1F)N1CCC(CC1)N(C=N)C=N
Show InChI InChI=1S/C26H35F2N5O2S/c1-2-21(8-9-26(36(34)35)19-6-4-3-5-7-19)31-16-20-14-24(28)25(15-23(20)27)32-12-10-22(11-13-32)33(17-29)18-30/h3-7,14-15,17-18,21-22,26,29-31,36H,2,8-13,16H2,1H3/t21-,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM50132477
PNG
(CHEMBL3632716 | US9751873, Example 127)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)CC1COC1
Show InChI InChI=1S/C24H29F2NO4S/c1-16-7-8-24(18-5-3-2-4-6-18)32(29,30)27(16)12-19-10-23(26)21(11-22(19)25)20(13-28)9-17-14-31-15-17/h2-6,10-11,16-17,20,24,28H,7-9,12-15H2,1H3/t16-,20?,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338466
PNG
((7R)-2-[[2,5-difluoro-4-[4-(1,2,4- triazol-4-yl)-1...)
Show SMILES Fc1cc(N2CCC(CC2)n2cnnc2)c(F)cc1CN1CCCC[C@H](c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C25H29F2N5O2S/c26-22-15-24(30-12-9-21(10-13-30)31-17-28-29-18-31)23(27)14-20(22)16-32-11-5-4-8-25(35(32,33)34)19-6-2-1-3-7-19/h1-3,6-7,14-15,17-18,21,25H,4-5,8-13,16H2/t25-/m1/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338335
PNG
((1R,5S,6S)-3-[2,5-Difluoro-4- ((3S,6R)-3-methyl-1,...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1C[C@H]2[C@@H](C1)C2n1cnnc1
Show InChI InChI=1S/C25H27F2N5O2S/c1-16-7-8-24(17-5-3-2-4-6-17)35(33,34)32(16)11-18-9-22(27)23(10-21(18)26)30-12-19-20(13-30)25(19)31-14-28-29-15-31/h2-6,9-10,14-16,19-20,24-25H,7-8,11-13H2,1H3/t16-,19-,20+,24+,25?/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM50132478
PNG
(CHEMBL3634609 | US9751873, Example 157)
Show SMILES Fc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3n2cnnc2)c(F)cc1CN1CCCC[C@@H](c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C25H27F2N5O2S/c26-21-11-23(30-13-19-20(14-30)25(19)31-15-28-29-16-31)22(27)10-18(21)12-32-9-5-4-8-24(35(32,33)34)17-6-2-1-3-7-17/h1-3,6-7,10-11,15-16,19-20,24-25H,4-5,8-9,12-14H2/t19-,20+,24-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM50132478
PNG
(CHEMBL3634609 | US9751873, Example 157)
Show SMILES Fc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3n2cnnc2)c(F)cc1CN1CCCC[C@@H](c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C25H27F2N5O2S/c26-21-11-23(30-13-19-20(14-30)25(19)31-15-28-29-16-31)22(27)10-18(21)12-32-9-5-4-8-24(35(32,33)34)17-6-2-1-3-7-17/h1-3,6-7,10-11,15-16,19-20,24-25H,4-5,8-9,12-14H2/t19-,20+,24-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338336
PNG
((1S,5R,6S)-3-[2,5-Difluoro-4- ((3S,6S)-3-methyl-1,...)
Show SMILES C[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1C[C@H]2[C@@H](C1)C2n1cnnc1
Show InChI InChI=1S/C25H27F2N5O2S/c1-16-7-8-24(17-5-3-2-4-6-17)35(33,34)32(16)11-18-9-22(27)23(10-21(18)26)30-12-19-20(13-30)25(19)31-14-28-29-15-31/h2-6,9-10,14-16,19-20,24-25H,7-8,11-13H2,1H3/t16-,19-,20+,24-,25?/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338400
PNG
(8-[3-fluoro-4-[[3S,6R)-3-methyl- 1,1-dioxo-6-pheny...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)C1Cc1ccc(cc1F)N1CCC2(CC1)N(C)C(=O)N(C)C2=O
Show InChI InChI=1S/C28H34FN3O4S/c1-19-9-12-24(20-7-5-4-6-8-20)37(35,36)25(19)17-21-10-11-22(18-23(21)29)32-15-13-28(14-16-32)26(33)30(2)27(34)31(28)3/h4-8,10-11,18-19,24-25H,9,12-17H2,1-3H3/t19-,24+,25?/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338459
PNG
((3S,6S)-2-[[2,5-difluoro-4- [(1R,5S)-6-(1,2,4-tria...)
Show SMILES CC[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1C[C@H]2[C@@H](C1)[C@@H]2n1cnnc1
Show InChI InChI=1S/C26H29F2N5O2S/c1-2-19-8-9-25(17-6-4-3-5-7-17)36(34,35)33(19)12-18-10-23(28)24(11-22(18)27)31-13-20-21(14-31)26(20)32-15-29-30-16-32/h3-7,10-11,15-16,19-21,25-26H,2,8-9,12-14H2,1H3/t19-,20-,21+,25-,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338436
PNG
(1-[4-[4-[[(6S)-5,5-dioxo-6-phenyl- 5$1{circumflex ...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN2C3(CC3)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C25H30FN3O3S/c1-19(30)27-13-15-28(16-14-27)22-8-7-21(23(26)17-22)18-29-25(11-12-25)10-9-24(33(29,31)32)20-5-3-2-4-6-20/h2-8,17,24H,9-16,18H2,1H3/t24-/m1/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM50132477
PNG
(CHEMBL3632716 | US9751873, Example 127)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)CC1COC1
Show InChI InChI=1S/C24H29F2NO4S/c1-16-7-8-24(18-5-3-2-4-6-18)32(29,30)27(16)12-19-10-23(26)21(11-22(19)25)20(13-28)9-17-14-31-15-17/h2-6,10-11,16-17,20,24,28H,7-9,12-15H2,1H3/t16-,20?,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338407
PNG
((3S,6R)-2-[[2-fluoro-4-[(3S,4S)-3- fluoro-4-(1,2,4...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@@H]([C@@H](F)C1)n1cnnc1
Show InChI InChI=1S/C25H29F2N5O2S/c1-18-7-10-25(19-5-3-2-4-6-19)35(33,34)32(18)14-20-8-9-21(13-22(20)26)30-12-11-24(23(27)15-30)31-16-28-29-17-31/h2-6,8-9,13,16-18,23-25H,7,10-12,14-15H2,1H3/t18-,23-,24-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338404
PNG
((3S,6R)-2-[[2-fluoro-4-[(3S,4R)-3- methoxy-4-(1,2,...)
Show SMILES CO[C@H]1CN(CC[C@H]1n1cnnc1)c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C26H32FN5O3S/c1-19-8-11-26(20-6-4-3-5-7-20)36(33,34)32(19)15-21-9-10-22(14-23(21)27)30-13-12-24(25(16-30)35-2)31-17-28-29-18-31/h3-7,9-10,14,17-19,24-26H,8,11-13,15-16H2,1-2H3/t19-,24+,25-,26+/m0/s1
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US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338414
PNG
(US9751873, Example 102 | methyl 4-[2,5-difluoro-4-...)
Show SMILES COC(=O)C1CCOCC1c1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F
Show InChI InChI=1S/C25H29F2NO5S/c1-16-8-9-24(17-6-4-3-5-7-17)34(30,31)28(16)14-18-12-23(27)20(13-22(18)26)21-15-33-11-10-19(21)25(29)32-2/h3-7,12-13,16,19,21,24H,8-11,14-15H2,1-2H3/t16-,19?,21?,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338393
PNG
(2-(4-((5R)-5-(4H-1,2,4-triazol-4- yl)-2-azabicyclo...)
Show SMILES CC1CCC(c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1CC2CC1CC2n1cnnc1
Show InChI InChI=1S/C26H29F2N5O2S/c1-17-7-8-26(18-5-3-2-4-6-18)36(34,35)33(17)14-19-10-23(28)25(12-22(19)27)32-13-20-9-21(32)11-24(20)31-15-29-30-16-31/h2-6,10,12,15-17,20-21,24,26H,7-9,11,13-14H2,1H3
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338424
PNG
((3S,6R)-2-[[2,5-difluoro-4-[(3S,4R)- 3-fluoro-4-[(...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1CC[C@H]([C@@H](F)C1)n1cnnc1
Show InChI InChI=1S/C25H28F3N5O2S/c1-17-7-8-25(18-5-3-2-4-6-18)36(34,35)33(17)13-19-11-21(27)24(12-20(19)26)31-10-9-23(22(28)14-31)32-15-29-30-16-32/h2-6,11-12,15-17,22-23,25H,7-10,13-14H2,1H3/t17-,22-,23+,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338339
PNG
((3S,6R)-2-[2-Fluoro-4-((3S,4S)-3- methyl-4-[1,2,4]...)
Show SMILES C[C@H]1CN(CC[C@@H]1n1cnnc1)c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C26H32FN5O2S/c1-19-15-30(13-12-25(19)31-17-28-29-18-31)23-10-9-22(24(27)14-23)16-32-20(2)8-11-26(35(32,33)34)21-6-4-3-5-7-21/h3-7,9-10,14,17-20,25-26H,8,11-13,15-16H2,1-2H3/t19-,20-,25-,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338397
PNG
((3S,6R)-2-[[2-fluoro-4-[(3R,4R)-3- fluoro-4-(1,2,4...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@H]([C@H](F)C1)n1cnnc1
Show InChI InChI=1S/C25H29F2N5O2S/c1-18-7-10-25(19-5-3-2-4-6-19)35(33,34)32(18)14-20-8-9-21(13-22(20)26)30-12-11-24(23(27)15-30)31-16-28-29-17-31/h2-6,8-9,13,16-18,23-25H,7,10-12,14-15H2,1H3/t18-,23+,24+,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338438
PNG
(2-[1-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(C)(C)OCC(N)=O
Show InChI InChI=1S/C23H28F2N2O4S/c1-15-9-10-21(16-7-5-4-6-8-16)32(29,30)27(15)13-17-11-20(25)18(12-19(17)24)23(2,3)31-14-22(26)28/h4-8,11-12,15,21H,9-10,13-14H2,1-3H3,(H2,26,28)/t15-,21+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338397
PNG
((3S,6R)-2-[[2-fluoro-4-[(3R,4R)-3- fluoro-4-(1,2,4...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@H]([C@H](F)C1)n1cnnc1
Show InChI InChI=1S/C25H29F2N5O2S/c1-18-7-10-25(19-5-3-2-4-6-19)35(33,34)32(18)14-20-8-9-21(13-22(20)26)30-12-11-24(23(27)15-30)31-16-28-29-17-31/h2-6,8-9,13,16-18,23-25H,7,10-12,14-15H2,1H3/t18-,23+,24+,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338331
PNG
((3S,6R)-2-[2-Fluoro-4-((3R,4S)-3- methyl-4-[1,2,4]...)
Show SMILES C[C@@H]1CN(CC[C@@H]1n1cnnc1)c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C26H32FN5O2S/c1-19-15-30(13-12-25(19)31-17-28-29-18-31)23-10-9-22(24(27)14-23)16-32-20(2)8-11-26(35(32,33)34)21-6-4-3-5-7-21/h3-7,9-10,14,17-20,25-26H,8,11-13,15-16H2,1-2H3/t19-,20+,25+,26-/m1/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338362
PNG
((2S,4S)-1-[3-Fluoro-4-((3S,6R)-3- methyl-1,1-dioxo...)
Show SMILES COC(=O)[C@@H]1C[C@H](CCN1c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1)n1cnnc1
Show InChI InChI=1S/C27H32FN5O4S/c1-19-8-11-26(20-6-4-3-5-7-20)38(35,36)33(19)16-21-9-10-23(14-24(21)28)32-13-12-22(31-17-29-30-18-31)15-25(32)27(34)37-2/h3-7,9-10,14,17-19,22,25-26H,8,11-13,15-16H2,1-2H3/t19-,22-,25-,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338385
PNG
((3R,6R)-2-(4-((1R,5S,6S)-6-(4H- 1,2,4-triazol-4-yl...)
Show SMILES Fc1cc(N2CC3[C@H](C2)[C@H]3n2cnnc2)c(F)cc1CN1[C@H](CC[C@H](c2ccccc2)S1(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H24F5N5O2S/c26-19-9-21(33-11-17-18(12-33)24(17)34-13-31-32-14-34)20(27)8-16(19)10-35-23(25(28,29)30)7-6-22(38(35,36)37)15-4-2-1-3-5-15/h1-5,8-9,13-14,17-18,22-24H,6-7,10-12H2/t17-,18?,22+,23+,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338393
PNG
(2-(4-((5R)-5-(4H-1,2,4-triazol-4- yl)-2-azabicyclo...)
Show SMILES CC1CCC(c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1CC2CC1CC2n1cnnc1
Show InChI InChI=1S/C26H29F2N5O2S/c1-17-7-8-26(18-5-3-2-4-6-18)36(34,35)33(17)14-19-10-23(28)25(12-22(19)27)32-13-20-9-21(32)11-24(20)31-15-29-30-16-31/h2-6,10,12,15-17,20-21,24,26H,7-9,11,13-14H2,1H3
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338353
PNG
((1S,5R,6S)-3-[2-Fluoro-4-((3S,6R)- 3-methyl-1,1-di...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CC3[C@H](C2)[C@H]3n2cnnc2)c(F)c1
Show InChI InChI=1S/C25H28FN5O2S/c1-17-7-10-24(19-5-3-2-4-6-19)34(32,33)31(17)12-18-8-9-23(22(26)11-18)29-13-20-21(14-29)25(20)30-15-27-28-16-30/h2-6,8-9,11,15-17,20-21,24-25H,7,10,12-14H2,1H3/t17-,20-,21?,24+,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338417
PNG
((3S,4S)-1-[2,5-difluoro-4-[[(3S,6R)- 3-methyl-1,1-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1CC[C@H]([C@@H](O)C1)n1cnnc1
Show InChI InChI=1S/C25H29F2N5O3S/c1-17-7-8-25(18-5-3-2-4-6-18)36(34,35)32(17)13-19-11-21(27)23(12-20(19)26)30-10-9-22(24(33)14-30)31-15-28-29-16-31/h2-6,11-12,15-17,22,24-25,33H,7-10,13-14H2,1H3/t17-,22+,24-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338411
PNG
((3S,6R)-2-[[2,5-difluoro-4- [(1R,4R,5R)-5-(1,2,4-t...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1C[C@H]2C[C@@H]1C[C@H]2n1cnnc1
Show InChI InChI=1S/C26H29F2N5O2S/c1-17-7-8-26(18-5-3-2-4-6-18)36(34,35)33(17)14-19-10-23(28)25(12-22(19)27)32-13-20-9-21(32)11-24(20)31-15-29-30-16-31/h2-6,10,12,15-17,20-21,24,26H,7-9,11,13-14H2,1H3/t17-,20+,21+,24+,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338351
PNG
((3S,6R)-2-(2-fluoro-4-((1-(S- methylsulfonimidoyl)...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(OC2CCN(CC2)S(C)(=N)=O)cc1F
Show InChI InChI=1S/C24H32FN3O4S2/c1-18-8-11-24(19-6-4-3-5-7-19)34(30,31)28(18)17-20-9-10-22(16-23(20)25)32-21-12-14-27(15-13-21)33(2,26)29/h3-7,9-10,16,18,21,24,26H,8,11-15,17H2,1-2H3/t18-,24+,33?/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338447
PNG
(3-[1-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(C)(C)OCC(O)CO
Show InChI InChI=1S/C24H31F2NO5S/c1-16-9-10-23(17-7-5-4-6-8-17)33(30,31)27(16)13-18-11-22(26)20(12-21(18)25)24(2,3)32-15-19(29)14-28/h4-8,11-12,16,19,23,28-29H,9-10,13-15H2,1-3H3/t16-,19?,23+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338386
PNG
((3R,6S)-2-(4-((1R,5S,6S)-6-(4H- 1,2,4-triazol-4-yl...)
Show SMILES Fc1cc(N2CC3[C@H](C2)[C@H]3n2cnnc2)c(F)cc1CN1[C@H](CC[C@@H](c2ccccc2)S1(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H24F5N5O2S/c26-19-9-21(33-11-17-18(12-33)24(17)34-13-31-32-14-34)20(27)8-16(19)10-35-23(25(28,29)30)7-6-22(38(35,36)37)15-4-2-1-3-5-15/h1-5,8-9,13-14,17-18,22-24H,6-7,10-12H2/t17-,18?,22-,23+,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338402
PNG
((3S,6R)-2-[[2-fluoro-4-[(3S,4R)-3- fluoro-4-(1,2,4...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@H]([C@@H](F)C1)n1cnnc1
Show InChI InChI=1S/C25H29F2N5O2S/c1-18-7-10-25(19-5-3-2-4-6-19)35(33,34)32(18)14-20-8-9-21(13-22(20)26)30-12-11-24(23(27)15-30)31-16-28-29-17-31/h2-6,8-9,13,16-18,23-25H,7,10-12,14-15H2,1H3/t18-,23-,24+,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338448
PNG
(2-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)c1ccccc1
Show InChI InChI=1S/C26H27F2NO3S/c1-18-12-13-26(20-10-6-3-7-11-20)33(31,32)29(18)16-21-14-25(28)22(15-24(21)27)23(17-30)19-8-4-2-5-9-19/h2-11,14-15,18,23,26,30H,12-13,16-17H2,1H3/t18-,23?,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338450
PNG
((2S)-3-[1-[2,5-difluoro-4-[[(3S,6R)- 3-methyl-1,1-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(C)(C)OC[C@H](O)CO
Show InChI InChI=1S/C24H31F2NO5S/c1-16-9-10-23(17-7-5-4-6-8-17)33(30,31)27(16)13-18-11-22(26)20(12-21(18)25)24(2,3)32-15-19(29)14-28/h4-8,11-12,16,19,23,28-29H,9-10,13-15H2,1-3H3/t16-,19+,23+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338338
PNG
((3S,6R)-2-[2-Fluoro-4-((3R,4R)-3- methyl-4-[1,2,4]...)
Show SMILES C[C@@H]1CN(CC[C@H]1n1cnnc1)c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C26H32FN5O2S/c1-19-15-30(13-12-25(19)31-17-28-29-18-31)23-10-9-22(24(27)14-23)16-32-20(2)8-11-26(35(32,33)34)21-6-4-3-5-7-21/h3-7,9-10,14,17-20,25-26H,8,11-13,15-16H2,1-2H3/t19-,20+,25-,26-/m1/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338445
PNG
(2-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)C1COC1
Show InChI InChI=1S/C23H27F2NO4S/c1-15-7-8-23(16-5-3-2-4-6-16)31(28,29)26(15)11-17-9-22(25)19(10-21(17)24)20(12-27)18-13-30-14-18/h2-6,9-10,15,18,20,23,27H,7-8,11-14H2,1H3/t15-,20?,23+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338368
PNG
(US9751873, Example 55 | {(3R,4S)-1-[3-Fluoro-4-((3...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@@H]([C@H](CO)C1)n1cnnc1
Show InChI InChI=1S/C26H32FN5O3S/c1-19-7-10-26(20-5-3-2-4-6-20)36(34,35)32(19)15-21-8-9-23(13-24(21)27)30-12-11-25(22(14-30)16-33)31-17-28-29-18-31/h2-6,8-9,13,17-19,22,25-26,33H,7,10-12,14-16H2,1H3/t19-,22-,25-,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM50132475
PNG
(CHEMBL3634612 | US9751873, Example 67)
Show SMILES FC(F)[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC(CC1)n1cnnc1
Show InChI InChI=1S/C25H28F3N5O2S/c26-22-14-21(31-12-10-20(11-13-31)32-16-29-30-17-32)7-6-19(22)15-33-23(25(27)28)8-9-24(36(33,34)35)18-4-2-1-3-5-18/h1-7,14,16-17,20,23-25H,8-13,15H2/t23-,24-/m1/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338355
PNG
(US9751873, Example 42 | {(3R,4R)-1-[3-Fluoro-4-((3...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@H]([C@H](CO)C1)n1cnnc1
Show InChI InChI=1S/C26H32FN5O3S/c1-19-7-10-26(20-5-3-2-4-6-20)36(34,35)32(19)15-21-8-9-23(13-24(21)27)30-12-11-25(22(14-30)16-33)31-17-28-29-18-31/h2-6,8-9,13,17-19,22,25-26,33H,7,10-12,14-16H2,1H3/t19-,22-,25+,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338389
PNG
((3R,6R)-2-(4-((1R,5S,6S)-6-(4H- 1,2,4-triazol-4-yl...)
Show SMILES Fc1cc(ccc1CN1[C@H](CC[C@H](c2ccccc2)S1(=O)=O)C(F)(F)F)N1CC2[C@H](C1)[C@H]2n1cnnc1
Show InChI InChI=1S/C25H25F4N5O2S/c26-21-10-18(32-12-19-20(13-32)24(19)33-14-30-31-15-33)7-6-17(21)11-34-23(25(27,28)29)9-8-22(37(34,35)36)16-4-2-1-3-5-16/h1-7,10,14-15,19-20,22-24H,8-9,11-13H2/t19-,20?,22+,23+,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338416
PNG
((3R,4R)-1-[2,5-difluoro-4- [[(3S,6R)-3-methyl-1,1-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1CC[C@H]([C@H](O)C1)n1cnnc1
Show InChI InChI=1S/C25H29F2N5O3S/c1-17-7-8-25(18-5-3-2-4-6-18)36(34,35)32(17)13-19-11-21(27)23(12-20(19)26)30-10-9-22(24(33)14-30)31-15-28-29-16-31/h2-6,11-12,15-17,22,24-25,33H,7-10,13-14H2,1H3/t17-,22+,24+,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338317
PNG
((3S,6R)-2-[2-Fluoro-4-(tetrahydro- pyran-4-ylmetho...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(OCC2CCOCC2)cc1F
Show InChI InChI=1S/C24H30FNO4S/c1-18-7-10-24(20-5-3-2-4-6-20)31(27,28)26(18)16-21-8-9-22(15-23(21)25)30-17-19-11-13-29-14-12-19/h2-6,8-9,15,18-19,24H,7,10-14,16-17H2,1H3/t18-,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338321
PNG
((3S,6R)-2-[2-Fluoro-4-((2S,4R)-2- methyl-4-[1,2,4]...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@H](C[C@@H]1C)n1cnnc1
Show InChI InChI=1S/C26H32FN5O2S/c1-19-8-11-26(21-6-4-3-5-7-21)35(33,34)32(19)16-22-9-10-24(15-25(22)27)31-13-12-23(14-20(31)2)30-17-28-29-18-30/h3-7,9-10,15,17-20,23,26H,8,11-14,16H2,1-2H3/t19-,20-,23+,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338456
PNG
(4-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)CCC(N)=O
Show InChI InChI=1S/C23H28F2N2O4S/c1-15-7-9-22(16-5-3-2-4-6-16)32(30,31)27(15)13-18-11-21(25)19(12-20(18)24)17(14-28)8-10-23(26)29/h2-6,11-12,15,17,22,28H,7-10,13-14H2,1H3,(H2,26,29)/t15-,17?,22+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338403
PNG
((3S,6R)-2-[[2-fluoro-4-[(3R,4S)-3- fluoro-4-(1,2,4...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@@H]([C@H](F)C1)n1cnnc1
Show InChI InChI=1S/C25H29F2N5O2S/c1-18-7-10-25(19-5-3-2-4-6-19)35(33,34)32(18)14-20-8-9-21(13-22(20)26)30-12-11-24(23(27)15-30)31-16-28-29-17-31/h2-6,8-9,13,16-18,23-25H,7,10-12,14-15H2,1H3/t18-,23+,24-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338358
PNG
(US9751873, Example 45 | US9751873, Example 54 | {(...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@H]([C@@H](CO)C1)n1cnnc1
Show InChI InChI=1S/C26H32FN5O3S/c1-19-7-10-26(20-5-3-2-4-6-20)36(34,35)32(19)15-21-8-9-23(13-24(21)27)30-12-11-25(22(14-30)16-33)31-17-28-29-18-31/h2-6,8-9,13,17-19,22,25-26,33H,7,10-12,14-16H2,1H3/t19-,22+,25+,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338373
PNG
(9-[3-Fluoro-4-((3S,6R)-3-methyl- 1,1-dioxo-6-pheny...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC2(CC1)OCCCO2
Show InChI InChI=1S/C26H33FN2O4S/c1-20-8-11-25(21-6-3-2-4-7-21)34(30,31)29(20)19-22-9-10-23(18-24(22)27)28-14-12-26(13-15-28)32-16-5-17-33-26/h2-4,6-7,9-10,18,20,25H,5,8,11-17,19H2,1H3/t20-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338452
PNG
(3-[1-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)C1CCN(C)C1=O
Show InChI InChI=1S/C25H30F2N2O4S/c1-16-8-9-24(17-6-4-3-5-7-17)34(32,33)29(16)14-18-12-23(27)20(13-22(18)26)21(15-30)19-10-11-28(2)25(19)31/h3-7,12-13,16,19,21,24,30H,8-11,14-15H2,1-2H3/t16-,19?,21?,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338425
PNG
((3S,6R)-2-[[2,5-difluoro-4-[(3R,4S)- 3-fluoro-4-(1...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1CC[C@@H]([C@H](F)C1)n1cnnc1
Show InChI InChI=1S/C25H28F3N5O2S/c1-17-7-8-25(18-5-3-2-4-6-18)36(34,35)33(17)13-19-11-21(27)24(12-20(19)26)31-10-9-23(22(28)14-31)32-15-29-30-16-32/h2-6,11-12,15-17,22-23,25H,7-10,13-14H2,1H3/t17-,22+,23-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338327
PNG
((3S,6R)-2-[2,5-Difluoro-4-(4- [1,2,4]triazol-4-yl-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1CCC(CC1)n1cnnc1
Show InChI InChI=1S/C25H29F2N5O2S/c1-18-7-8-25(19-5-3-2-4-6-19)35(33,34)32(18)15-20-13-23(27)24(14-22(20)26)30-11-9-21(10-12-30)31-16-28-29-17-31/h2-6,13-14,16-18,21,25H,7-12,15H2,1H3/t18-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338369
PNG
(US9751873, Example 56 | US9751873, Example 58 | {(...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@@H]([C@@H](CO)C1)n1cnnc1
Show InChI InChI=1S/C26H32FN5O3S/c1-19-7-10-26(20-5-3-2-4-6-20)36(34,35)32(19)15-21-8-9-23(13-24(21)27)30-12-11-25(22(14-30)16-33)31-17-28-29-18-31/h2-6,8-9,13,17-19,22,25-26,33H,7,10-12,14-16H2,1H3/t19-,22+,25-,26+/m0/s1
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US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338399
PNG
((3S,6R)-2-[[2-fluoro-4-(1-oxa-6- azaspiro[3.3]hept...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC2(CCO2)C1
Show InChI InChI=1S/C23H27FN2O3S/c1-17-7-10-22(18-5-3-2-4-6-18)30(27,28)26(17)14-19-8-9-20(13-21(19)24)25-15-23(16-25)11-12-29-23/h2-6,8-9,13,17,22H,7,10-12,14-16H2,1H3/t17-,22+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338382
PNG
((3R,6R)-2-(4-(4-(4H-1,2,4-triazol-4- yl)piperidin-...)
Show SMILES FC(F)[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1CCC(CC1)n1cnnc1
Show InChI InChI=1S/C25H27F4N5O2S/c26-20-13-23(32-10-8-19(9-11-32)33-15-30-31-16-33)21(27)12-18(20)14-34-22(25(28)29)6-7-24(37(34,35)36)17-4-2-1-3-5-17/h1-5,12-13,15-16,19,22,24-25H,6-11,14H2/t22-,24-/m1/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338391
PNG
((4R)-methyl 1-(2,5-difluoro-4- ((3-methyl-1,1-diox...)
Show SMILES COC(=O)C1CN(CCC1n1cnnc1)c1cc(F)c(CN2C(C)CCC(c3ccccc3)S2(=O)=O)cc1F
Show InChI InChI=1S/C27H31F2N5O4S/c1-18-8-9-26(19-6-4-3-5-7-19)39(36,37)34(18)14-20-12-23(29)25(13-22(20)28)32-11-10-24(33-16-30-31-17-33)21(15-32)27(35)38-2/h3-7,12-13,16-18,21,24,26H,8-11,14-15H2,1-2H3
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338350
PNG
((2S,4R)-1-[3-Fluoro-4-((3S,6R)-3- methyl-1,1-dioxo...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CCN1c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1)n1cnnc1
Show InChI InChI=1S/C27H32FN5O4S/c1-19-8-11-26(20-6-4-3-5-7-20)38(35,36)33(19)16-21-9-10-23(14-24(21)28)32-13-12-22(31-17-29-30-18-31)15-25(32)27(34)37-2/h3-7,9-10,14,17-19,22,25-26H,8,11-13,15-16H2,1-2H3/t19-,22+,25-,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338340
PNG
(3-[3-Fluoro-4-((3S,6R)-3-methyl- 1,1-dioxo-6-pheny...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC2CC2C(C1)n1cnnc1
Show InChI InChI=1S/C26H30FN5O2S/c1-18-7-10-26(19-5-3-2-4-6-19)35(33,34)32(18)14-20-8-9-22(12-24(20)27)30-13-21-11-23(21)25(15-30)31-16-28-29-17-31/h2-6,8-9,12,16-18,21,23,25-26H,7,10-11,13-15H2,1H3/t18-,21?,23?,25?,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338441
PNG
(3-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)CC#N
Show InChI InChI=1S/C22H24F2N2O3S/c1-15-7-8-22(16-5-3-2-4-6-16)30(28,29)26(15)13-18-11-21(24)19(12-20(18)23)17(14-27)9-10-25/h2-6,11-12,15,17,22,27H,7-9,13-14H2,1H3/t15-,17?,22+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338330
PNG
((3S,6R)-2-[2-Fluoro-4-((3S,4R)-3- methyl-4-[1,2,4]...)
Show SMILES C[C@H]1CN(CC[C@H]1n1cnnc1)c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C26H32FN5O2S/c1-19-15-30(13-12-25(19)31-17-28-29-18-31)23-10-9-22(24(27)14-23)16-32-20(2)8-11-26(35(32,33)34)21-6-4-3-5-7-21/h3-7,9-10,14,17-20,25-26H,8,11-13,15-16H2,1-2H3/t19-,20-,25+,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338405
PNG
((3S,6R)-2-[[2-fluoro-4-[(3R,4S)-3- methoxy-4-(1,2,...)
Show SMILES CO[C@@H]1CN(CC[C@@H]1n1cnnc1)c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C26H32FN5O3S/c1-19-8-11-26(20-6-4-3-5-7-20)36(33,34)32(19)15-21-9-10-22(14-23(21)27)30-13-12-24(25(16-30)35-2)31-17-28-29-18-31/h3-7,9-10,14,17-19,24-26H,8,11-13,15-16H2,1-2H3/t19-,24-,25+,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338441
PNG
(3-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)CC#N
Show InChI InChI=1S/C22H24F2N2O3S/c1-15-7-8-22(16-5-3-2-4-6-16)30(28,29)26(15)13-18-11-21(24)19(12-20(18)23)17(14-27)9-10-25/h2-6,11-12,15,17,22,27H,7-9,13-14H2,1H3/t15-,17?,22+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338332
PNG
((1S,5R,6S)-3-[2,3-Difluoro-4- ((3S,6R)-3-methyl-1,...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3n2cnnc2)c(F)c1F
Show InChI InChI=1S/C25H27F2N5O2S/c1-16-7-10-22(17-5-3-2-4-6-17)35(33,34)32(16)11-18-8-9-21(24(27)23(18)26)30-12-19-20(13-30)25(19)31-14-28-29-15-31/h2-6,8-9,14-16,19-20,22,25H,7,10-13H2,1H3/t16-,19-,20+,22+,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338452
PNG
(3-[1-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)C1CCN(C)C1=O
Show InChI InChI=1S/C25H30F2N2O4S/c1-16-8-9-24(17-6-4-3-5-7-17)34(32,33)29(16)14-18-12-23(27)20(13-22(18)26)21(15-30)19-10-11-28(2)25(19)31/h3-7,12-13,16,19,21,24,30H,8-11,14-15H2,1-2H3/t16-,19?,21?,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338429
PNG
(2-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES CC(CO)c1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F
Show InChI InChI=1S/C21H25F2NO3S/c1-14(13-25)18-11-19(22)17(10-20(18)23)12-24-15(2)8-9-21(28(24,26)27)16-6-4-3-5-7-16/h3-7,10-11,14-15,21,25H,8-9,12-13H2,1-2H3/t14?,15-,21+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338468
PNG
((7S)-2-[[2-fluoro-4-[(1R,5S)-6- (1,2,4-triazol-4-y...)
Show SMILES Fc1cc(ccc1CN1CCCC[C@@H](c2ccccc2)S1(=O)=O)N1C[C@H]2[C@@H](C1)[C@@H]2n1cnnc1
Show InChI InChI=1S/C25H28FN5O2S/c26-23-12-20(29-14-21-22(15-29)25(21)30-16-27-28-17-30)10-9-19(23)13-31-11-5-4-8-24(34(31,32)33)18-6-2-1-3-7-18/h1-3,6-7,9-10,12,16-17,21-22,24-25H,4-5,8,11,13-15H2/t21-,22+,24-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338354
PNG
((1S,5R,6S)-3-[2-Fluoro-4-((3S,6S)- 3-methyl-1,1-di...)
Show SMILES C[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CC3[C@H](C2)[C@H]3n2cnnc2)c(F)c1
Show InChI InChI=1S/C25H28FN5O2S/c1-17-7-10-24(19-5-3-2-4-6-19)34(32,33)31(17)12-18-8-9-23(22(26)11-18)29-13-20-21(14-29)25(20)30-15-27-28-16-30/h2-6,8-9,11,15-17,20-21,24-25H,7,10,12-14H2,1H3/t17-,20-,21?,24-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338375
PNG
((S)-8-[3-Fluoro-4-((3S,6R)-3- methyl-1,1-dioxo-6-p...)
Show SMILES COC(=O)[C@@H]1CC2(CCN1c1ccc(CN3[C@@H](C)CC[C@H](c4ccccc4)S3(=O)=O)c(F)c1)OCCO2
Show InChI InChI=1S/C27H33FN2O6S/c1-19-8-11-25(20-6-4-3-5-7-20)37(32,33)30(19)18-21-9-10-22(16-23(21)28)29-13-12-27(35-14-15-36-27)17-24(29)26(31)34-2/h3-7,9-10,16,19,24-25H,8,11-15,17-18H2,1-2H3/t19-,24-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338388
PNG
((3R,6S)-2-(4-(4-(4H-1,2,4- triazol-4-yl)piperidin-...)
Show SMILES Fc1cc(ccc1CN1[C@H](CC[C@@H](c2ccccc2)S1(=O)=O)C(F)(F)F)N1CCC(CC1)n1cnnc1
Show InChI InChI=1S/C25H27F4N5O2S/c26-22-14-21(32-12-10-20(11-13-32)33-16-30-31-17-33)7-6-19(22)15-34-24(25(27,28)29)9-8-23(37(34,35)36)18-4-2-1-3-5-18/h1-7,14,16-17,20,23-24H,8-13,15H2/t23-,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338451
PNG
((2R)-3-[1-[2,5-difluoro-4-[[(3S,6R)- 3-methyl-1,1-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(C)(C)OC[C@@H](O)CO
Show InChI InChI=1S/C24H31F2NO5S/c1-16-9-10-23(17-7-5-4-6-8-17)33(30,31)27(16)13-18-11-22(26)20(12-21(18)25)24(2,3)32-15-19(29)14-28/h4-8,11-12,16,19,23,28-29H,9-10,13-15H2,1-3H3/t16-,19-,23+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338415
PNG
(US9751873, Example 103 | US9751873, Example 109 | ...)
Show SMILES COC(=O)[C@H]1CCOC[C@@H]1c1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F
Show InChI InChI=1S/C25H29F2NO5S/c1-16-8-9-24(17-6-4-3-5-7-17)34(30,31)28(16)14-18-12-23(27)20(13-22(18)26)21-15-33-11-10-19(21)25(29)32-2/h3-7,12-13,16,19,21,24H,8-11,14-15H2,1-2H3/t16-,19-,21-,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338465
PNG
((7S)-2-[[2,5-difluoro-4-[4-(1,2,4- triazol-4-yl)-1...)
Show SMILES Fc1cc(N2CCC(CC2)n2cnnc2)c(F)cc1CN1CCCC[C@@H](c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C25H29F2N5O2S/c26-22-15-24(30-12-9-21(10-13-30)31-17-28-29-18-31)23(27)14-20(22)16-32-11-5-4-8-25(35(32,33)34)19-6-2-1-3-7-19/h1-3,6-7,14-15,17-18,21,25H,4-5,8-13,16H2/t25-/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338413
PNG
((3S,6R)-2-[[2-fluoro-4- (tetrahydropyran-4- yliden...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(C=C2CCOCC2)cc1F
Show InChI InChI=1S/C24H28FNO3S/c1-18-7-10-24(21-5-3-2-4-6-21)30(27,28)26(18)17-22-9-8-20(16-23(22)25)15-19-11-13-29-14-12-19/h2-6,8-9,15-16,18,24H,7,10-14,17H2,1H3/t18-,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338465
PNG
((7S)-2-[[2,5-difluoro-4-[4-(1,2,4- triazol-4-yl)-1...)
Show SMILES Fc1cc(N2CCC(CC2)n2cnnc2)c(F)cc1CN1CCCC[C@@H](c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C25H29F2N5O2S/c26-22-15-24(30-12-9-21(10-13-30)31-17-28-29-18-31)23(27)14-20(22)16-32-11-5-4-8-25(35(32,33)34)19-6-2-1-3-7-19/h1-3,6-7,14-15,17-18,21,25H,4-5,8-13,16H2/t25-/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338463
PNG
((3S,6S)-3-ethyl-2-[[2-fluoro-4- [(1R,5S)-6-(1,2,4-...)
Show SMILES CC[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1C[C@H]2[C@@H](C1)[C@@H]2n1cnnc1
Show InChI InChI=1S/C26H30FN5O2S/c1-2-20-10-11-25(18-6-4-3-5-7-18)35(33,34)32(20)13-19-8-9-21(12-24(19)27)30-14-22-23(15-30)26(22)31-16-28-29-17-31/h3-9,12,16-17,20,22-23,25-26H,2,10-11,13-15H2,1H3/t20-,22-,23+,25-,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338374
PNG
(7-[3-Fluoro-4-((3S,6R)-3-methyl- 1,1-dioxo-6-pheny...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC2(CCO2)CC1
Show InChI InChI=1S/C25H31FN2O3S/c1-19-7-10-24(20-5-3-2-4-6-20)32(29,30)28(19)18-21-8-9-22(17-23(21)26)27-14-11-25(12-15-27)13-16-31-25/h2-6,8-9,17,19,24H,7,10-16,18H2,1H3/t19-,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338445
PNG
(2-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)C1COC1
Show InChI InChI=1S/C23H27F2NO4S/c1-15-7-8-23(16-5-3-2-4-6-16)31(28,29)26(15)11-17-9-22(25)19(10-21(17)24)20(12-27)18-13-30-14-18/h2-6,9-10,15,18,20,23,27H,7-8,11-14H2,1H3/t15-,20?,23+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338415
PNG
(US9751873, Example 103 | US9751873, Example 109 | ...)
Show SMILES COC(=O)[C@H]1CCOC[C@@H]1c1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F
Show InChI InChI=1S/C25H29F2NO5S/c1-16-8-9-24(17-6-4-3-5-7-17)34(30,31)28(16)14-18-12-23(27)20(13-22(18)26)21-15-33-11-10-19(21)25(29)32-2/h3-7,12-13,16,19,21,24H,8-11,14-15H2,1-2H3/t16-,19-,21-,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338412
PNG
((3S,6R)-2-[[4-(3,6-dihydro-2H- pyran-4-ylmethyl)-2...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(CC2=CCOCC2)cc1F
Show InChI InChI=1S/C24H28FNO3S/c1-18-7-10-24(21-5-3-2-4-6-21)30(27,28)26(18)17-22-9-8-20(16-23(22)25)15-19-11-13-29-14-12-19/h2-6,8-9,11,16,18,24H,7,10,12-15,17H2,1H3/t18-,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338418
PNG
(US9751873, Example 106 | methyl 2-[2,5-difluoro-4-...)
Show SMILES COC(=O)Cc1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F
Show InChI InChI=1S/C21H23F2NO4S/c1-14-8-9-20(15-6-4-3-5-7-15)29(26,27)24(14)13-17-11-18(22)16(10-19(17)23)12-21(25)28-2/h3-7,10-11,14,20H,8-9,12-13H2,1-2H3/t14-,20+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338390
PNG
((3R,6S)-2-(4-((1R,5S,6S)-6-(4H- 1,2,4-triazol-4-yl...)
Show SMILES Fc1cc(ccc1CN1[C@H](CC[C@@H](c2ccccc2)S1(=O)=O)C(F)(F)F)N1C[C@H]2[C@@H](C1)[C@@H]2n1cnnc1
Show InChI InChI=1S/C25H25F4N5O2S/c26-21-10-18(32-12-19-20(13-32)24(19)33-14-30-31-15-33)7-6-17(21)11-34-23(25(27,28)29)9-8-22(37(34,35)36)16-4-2-1-3-5-16/h1-7,10,14-15,19-20,22-24H,8-9,11-13H2/t19-,20+,22-,23+,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338431
PNG
(US9751873, Example 118 | diethyl 2-[2,5-difluoro-4...)
Show SMILES CCOC(=O)C(C(=O)OCC)c1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F
Show InChI InChI=1S/C25H29F2NO6S/c1-4-33-24(29)23(25(30)34-5-2)19-14-20(26)18(13-21(19)27)15-28-16(3)11-12-22(35(28,31)32)17-9-7-6-8-10-17/h6-10,13-14,16,22-23H,4-5,11-12,15H2,1-3H3/t16-,22+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338344
PNG
((3S,6R)-2-[3-Fluoro-4-(4- [1,2,4]triazol-4-yl-pipe...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC(CC2)n2cnnc2)c(F)c1
Show InChI InChI=1S/C25H30FN5O2S/c1-19-7-10-25(21-5-3-2-4-6-21)34(32,33)31(19)16-20-8-9-24(23(26)15-20)29-13-11-22(12-14-29)30-17-27-28-18-30/h2-6,8-9,15,17-19,22,25H,7,10-14,16H2,1H3/t19-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338395
PNG
(2-(2-fluoro-4-((4R)-3-fluoro-4- (4H-1,2,4-triazol-...)
Show SMILES CC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC(C(F)C1)n1cnnc1
Show InChI InChI=1S/C25H29F2N5O2S/c1-18-7-10-25(19-5-3-2-4-6-19)35(33,34)32(18)14-20-8-9-21(13-22(20)26)30-12-11-24(23(27)15-30)31-16-28-29-17-31/h2-6,8-9,13,16-18,23-25H,7,10-12,14-15H2,1H3
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338392
PNG
(2-(2-fluoro-4-((4R)-3-methoxy-4- (4H-1,2,4-triazol...)
Show SMILES COC1CN(CCC1n1cnnc1)c1ccc(CN2C(C)CCC(c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C26H32FN5O3S/c1-19-8-11-26(20-6-4-3-5-7-20)36(33,34)32(19)15-21-9-10-22(14-23(21)27)30-13-12-24(25(16-30)35-2)31-17-28-29-18-31/h3-7,9-10,14,17-19,24-26H,8,11-13,15-16H2,1-2H3
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338423
PNG
(US9751873, Example 110 | methyl (3R,4R)-3-[2,5-dif...)
Show SMILES COC(=O)[C@@H]1CCOC[C@H]1c1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F
Show InChI InChI=1S/C25H29F2NO5S/c1-16-8-9-24(17-6-4-3-5-7-17)34(30,31)28(16)14-18-12-23(27)20(13-22(18)26)21-15-33-11-10-19(21)25(29)32-2/h3-7,12-13,16,19,21,24H,8-11,14-15H2,1-2H3/t16-,19+,21+,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338380
PNG
((3R,6S)-2-(4-(4-(4H-1,2,4-triazol-4- yl)piperidin-...)
Show SMILES FC(F)[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC(CC1)n1cnnc1
Show InChI InChI=1S/C25H28F3N5O2S/c26-22-14-21(31-12-10-20(11-13-31)32-16-29-30-17-32)7-6-19(22)15-33-23(25(27)28)8-9-24(36(33,34)35)18-4-2-1-3-5-18/h1-7,14,16-17,20,23-25H,8-13,15H2/t23-,24+/m1/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338348
PNG
((1R,5S,8R)-3-[3-Fluoro-4-((3S,6R)- 3-methyl-1,1-di...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1C[C@@H]2CC[C@H](C1)[C@@H]2n1cnnc1
Show InChI InChI=1S/C27H32FN5O2S/c1-19-7-12-26(20-5-3-2-4-6-20)36(34,35)33(19)16-21-10-11-24(13-25(21)28)31-14-22-8-9-23(15-31)27(22)32-17-29-30-18-32/h2-6,10-11,13,17-19,22-23,26-27H,7-9,12,14-16H2,1H3/t19-,22-,23+,26+,27+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338433
PNG
(US9751873, Example 120 | tert-butyl 2-[2,5-difluor...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(CC(=O)OC(C)(C)C)cc1F
Show InChI InChI=1S/C24H29F2NO4S/c1-16-10-11-22(17-8-6-5-7-9-17)32(29,30)27(16)15-19-13-20(25)18(12-21(19)26)14-23(28)31-24(2,3)4/h5-9,12-13,16,22H,10-11,14-15H2,1-4H3/t16-,22+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338421
PNG
((3R,4R)-3-[2,5-difluoro-4-[[(3S,6R)- 3-methyl-1,1-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)[C@@H]1COCC[C@H]1C(O)=O
Show InChI InChI=1S/C24H27F2NO5S/c1-15-7-8-23(16-5-3-2-4-6-16)33(30,31)27(15)13-17-11-22(26)19(12-21(17)25)20-14-32-10-9-18(20)24(28)29/h2-6,11-12,15,18,20,23H,7-10,13-14H2,1H3,(H,28,29)/t15-,18+,20+,23+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338365
PNG
(8-[3-Fluoro-4-((3S,6R)-3-methyl- 1,1-dioxo-6-pheny...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C25H31FN2O4S/c1-19-7-10-24(20-5-3-2-4-6-20)33(29,30)28(19)18-21-8-9-22(17-23(21)26)27-13-11-25(12-14-27)31-15-16-32-25/h2-6,8-9,17,19,24H,7,10-16,18H2,1H3/t19-,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338381
PNG
((3R,6S)-2-(4-(4-(4H-1,2,4-triazol-4- yl)piperidin-...)
Show SMILES FC(F)[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1CCC(CC1)n1cnnc1
Show InChI InChI=1S/C25H27F4N5O2S/c26-20-13-23(32-10-8-19(9-11-32)33-15-30-31-16-33)21(27)12-18(20)14-34-22(25(28)29)6-7-24(37(34,35)36)17-4-2-1-3-5-17/h1-5,12-13,15-16,19,22,24-25H,6-11,14H2/t22-,24+/m1/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338456
PNG
(4-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)CCC(N)=O
Show InChI InChI=1S/C23H28F2N2O4S/c1-15-7-9-22(16-5-3-2-4-6-16)32(30,31)27(15)13-18-11-21(25)19(12-20(18)24)17(14-28)8-10-23(26)29/h2-6,11-12,15,17,22,28H,7-10,13-14H2,1H3,(H2,26,29)/t15-,17?,22+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338452
PNG
(3-[1-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)C1CCN(C)C1=O
Show InChI InChI=1S/C25H30F2N2O4S/c1-16-8-9-24(17-6-4-3-5-7-17)34(32,33)29(16)14-18-12-23(27)20(13-22(18)26)21(15-30)19-10-11-28(2)25(19)31/h3-7,12-13,16,19,21,24,30H,8-11,14-15H2,1-2H3/t16-,19?,21?,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338434
PNG
(4-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)CCC#N
Show InChI InChI=1S/C23H26F2N2O3S/c1-16-9-10-23(17-6-3-2-4-7-17)31(29,30)27(16)14-19-12-22(25)20(13-21(19)24)18(15-28)8-5-11-26/h2-4,6-7,12-13,16,18,23,28H,5,8-10,14-15H2,1H3/t16-,18?,23+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338329
PNG
((3S,4R)-1-[3-Fluoro-4-((3S,6R)-3- methyl-1,1-dioxo...)
Show SMILES COC(=O)[C@H]1CN(CC[C@H]1n1cnnc1)c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C27H32FN5O4S/c1-19-8-11-26(20-6-4-3-5-7-20)38(35,36)33(19)15-21-9-10-22(14-24(21)28)31-13-12-25(32-17-29-30-18-32)23(16-31)27(34)37-2/h3-7,9-10,14,17-19,23,25-26H,8,11-13,15-16H2,1-2H3/t19-,23-,25+,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338429
PNG
(2-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES CC(CO)c1cc(F)c(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)cc1F
Show InChI InChI=1S/C21H25F2NO3S/c1-14(13-25)18-11-19(22)17(10-20(18)23)12-24-15(2)8-9-21(28(24,26)27)16-6-4-3-5-7-16/h3-7,10-11,14-15,21,25H,8-9,12-13H2,1-2H3/t14?,15-,21+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338324
PNG
((3S,6R)-2-[2-Fluoro-4-((2S,4S)-2- methyl-4-[1,2,4]...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@@H](C[C@@H]1C)n1cnnc1
Show InChI InChI=1S/C26H32FN5O2S/c1-19-8-11-26(21-6-4-3-5-7-21)35(33,34)32(19)16-22-9-10-24(15-25(22)27)31-13-12-23(14-20(31)2)30-17-28-29-18-30/h3-7,9-10,15,17-20,23,26H,8,11-14,16H2,1-2H3/t19-,20-,23-,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM50132473
PNG
(CHEMBL3634610 | US9751873, Example 1)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC(CO)(CC1)n1cnnc1
Show InChI InChI=1S/C26H32FN5O3S/c1-20-7-10-25(21-5-3-2-4-6-21)36(34,35)32(20)16-22-8-9-23(15-24(22)27)30-13-11-26(17-33,12-14-30)31-18-28-29-19-31/h2-6,8-9,15,18-20,25,33H,7,10-14,16-17H2,1H3/t20-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338337
PNG
((1R,5S,6S)-3-[2,6-Difluoro-4- ((3S,6R)-3-methyl-1,...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(N2C[C@H]3[C@@H](C2)[C@@H]3n2cnnc2)c(F)c1
Show InChI InChI=1S/C25H27F2N5O2S/c1-16-7-8-23(18-5-3-2-4-6-18)35(33,34)32(16)11-17-9-21(26)25(22(27)10-17)30-12-19-20(13-30)24(19)31-14-28-29-15-31/h2-6,9-10,14-16,19-20,23-24H,7-8,11-13H2,1H3/t16-,19-,20+,23+,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338452
PNG
(3-[1-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)C1CCN(C)C1=O
Show InChI InChI=1S/C25H30F2N2O4S/c1-16-8-9-24(17-6-4-3-5-7-17)34(32,33)29(16)14-18-12-23(27)20(13-22(18)26)21(15-30)19-10-11-28(2)25(19)31/h3-7,12-13,16,19,21,24,30H,8-11,14-15H2,1-2H3/t16-,19?,21?,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338410
PNG
((3S,6R)-2-[[2,5-difluoro-4- [(1S,4S,5S)-5-(1,2,4-t...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)N1C[C@@H]2C[C@H]1C[C@@H]2n1cnnc1
Show InChI InChI=1S/C26H29F2N5O2S/c1-17-7-8-26(18-5-3-2-4-6-18)36(34,35)33(17)14-19-10-23(28)25(12-22(19)27)32-13-20-9-21(32)11-24(20)31-15-29-30-16-31/h2-6,10,12,15-17,20-21,24,26H,7-9,11,13-14H2,1H3/t17-,20-,21-,24-,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338340
PNG
(3-[3-Fluoro-4-((3S,6R)-3-methyl- 1,1-dioxo-6-pheny...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC2CC2C(C1)n1cnnc1
Show InChI InChI=1S/C26H30FN5O2S/c1-18-7-10-26(19-5-3-2-4-6-19)35(33,34)32(18)14-20-8-9-22(12-24(20)27)30-13-21-11-23(21)25(15-30)31-16-28-29-17-31/h2-6,8-9,12,16-18,21,23,25-26H,7,10-11,13-15H2,1H3/t18-,21?,23?,25?,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338359
PNG
((2R,4R)-1-[3-Fluoro-4-((3S,6R)-3- methyl-1,1-dioxo...)
Show SMILES COC(=O)[C@H]1C[C@@H](CCN1c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1)n1cnnc1
Show InChI InChI=1S/C27H32FN5O4S/c1-19-8-11-26(20-6-4-3-5-7-20)38(35,36)33(19)16-21-9-10-23(14-24(21)28)32-13-12-22(31-17-29-30-18-31)15-25(32)27(34)37-2/h3-7,9-10,14,17-19,22,25-26H,8,11-13,15-16H2,1-2H3/t19-,22+,25+,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338372
PNG
(8-[3-Fluoro-4-((3S,6R)-3-methyl- 1,1-dioxo-6-pheny...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC2(CCCO2)CC1
Show InChI InChI=1S/C26H33FN2O3S/c1-20-8-11-25(21-6-3-2-4-7-21)33(30,31)29(20)19-22-9-10-23(18-24(22)27)28-15-13-26(14-16-28)12-5-17-32-26/h2-4,6-7,9-10,18,20,25H,5,8,11-17,19H2,1H3/t20-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338333
PNG
((1S,5R,6S)-3-[2,3-Difluoro-4- ((3S,6S)-3-methyl-1,...)
Show SMILES C[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3n2cnnc2)c(F)c1F
Show InChI InChI=1S/C25H27F2N5O2S/c1-16-7-10-22(17-5-3-2-4-6-17)35(33,34)32(16)11-18-8-9-21(24(27)23(18)26)30-12-19-20(13-30)25(19)31-14-28-29-15-31/h2-6,8-9,14-16,19-20,22,25H,7,10-13H2,1H3/t16-,19-,20+,22-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338387
PNG
((3R,6R)-2-(4-(4-(4H-1,2,4- triazol-4-yl)piperidin-...)
Show SMILES Fc1cc(ccc1CN1[C@H](CC[C@H](c2ccccc2)S1(=O)=O)C(F)(F)F)N1CCC(CC1)n1cnnc1
Show InChI InChI=1S/C25H27F4N5O2S/c26-22-14-21(32-12-10-20(11-13-32)33-16-30-31-17-33)7-6-19(22)15-34-24(25(27,28)29)9-8-23(37(34,35)36)18-4-2-1-3-5-18/h1-7,14,16-17,20,23-24H,8-13,15H2/t23-,24-/m1/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338432
PNG
(2-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)CO
Show InChI InChI=1S/C21H25F2NO4S/c1-14-7-8-21(15-5-3-2-4-6-15)29(27,28)24(14)11-16-9-20(23)18(10-19(16)22)17(12-25)13-26/h2-6,9-10,14,17,21,25-26H,7-8,11-13H2,1H3/t14-,21+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338318
PNG
((3S,6R)-2-(4-((1,1-dioxidotetrahydro- 2H-thiopyran...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(OCC2CCS(=O)(=O)CC2)cc1
Show InChI InChI=1S/C24H31NO5S2/c1-19-7-12-24(22-5-3-2-4-6-22)32(28,29)25(19)17-20-8-10-23(11-9-20)30-18-21-13-15-31(26,27)16-14-21/h2-6,8-11,19,21,24H,7,12-18H2,1H3/t19-,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338358
PNG
(US9751873, Example 45 | US9751873, Example 54 | {(...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@H]([C@@H](CO)C1)n1cnnc1
Show InChI InChI=1S/C26H32FN5O3S/c1-19-7-10-26(20-5-3-2-4-6-20)36(34,35)32(19)15-21-8-9-23(13-24(21)27)30-12-11-25(22(14-30)16-33)31-17-28-29-18-31/h2-6,8-9,13,17-19,22,25-26,33H,7,10-12,14-16H2,1H3/t19-,22+,25+,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338340
PNG
(3-[3-Fluoro-4-((3S,6R)-3-methyl- 1,1-dioxo-6-pheny...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC2CC2C(C1)n1cnnc1
Show InChI InChI=1S/C26H30FN5O2S/c1-18-7-10-26(19-5-3-2-4-6-19)35(33,34)32(18)14-20-8-9-22(12-24(20)27)30-13-21-11-23(21)25(15-30)31-16-28-29-17-31/h2-6,8-9,12,16-18,21,23,25-26H,7,10-11,13-15H2,1H3/t18-,21?,23?,25?,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338461
PNG
((3S,6S)-2-[[2,5-difluoro-4-[4-(1,2,4- triazol-4-yl...)
Show SMILES CC1[C@H]2CC[C@@H](c3ccccc3)S(=O)(=O)N2Cc2c(F)cc(N3CCC(CC3)n3cnnc3)c(F)c12
Show InChI InChI=1S/C26H29F2N5O2S/c1-17-22-7-8-24(18-5-3-2-4-6-18)36(34,35)33(22)14-20-21(27)13-23(26(28)25(17)20)31-11-9-19(10-12-31)32-15-29-30-16-32/h2-6,13,15-17,19,22,24H,7-12,14H2,1H3/t17?,22-,24+/m1/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338383
PNG
((3R,6S)-2-(4-(4-(4H-1,2,4-triazol-4- yl)piperidin-...)
Show SMILES Fc1cc(N2CCC(CC2)n2cnnc2)c(F)cc1CN1[C@H](CC[C@@H](c2ccccc2)S1(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H26F5N5O2S/c26-20-13-22(33-10-8-19(9-11-33)34-15-31-32-16-34)21(27)12-18(20)14-35-24(25(28,29)30)7-6-23(38(35,36)37)17-4-2-1-3-5-17/h1-5,12-13,15-16,19,23-24H,6-11,14H2/t23-,24+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338351
PNG
((3S,6R)-2-(2-fluoro-4-((1-(S- methylsulfonimidoyl)...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(OC2CCN(CC2)S(C)(=N)=O)cc1F
Show InChI InChI=1S/C24H32FN3O4S2/c1-18-8-11-24(19-6-4-3-5-7-19)34(30,31)28(18)17-20-9-10-22(16-23(20)25)32-21-12-14-27(15-13-21)33(2,26)29/h3-7,9-10,16,18,21,24,26H,8,11-15,17H2,1-2H3/t18-,24+,33?/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338409
PNG
(4-[4-[3-fluoro-4-[[(3S,6R)-3-methyl- 1,1-dioxo-6-p...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C29H32FN3O5S/c1-20-7-12-28(21-5-3-2-4-6-21)39(37,38)33(20)19-22-8-9-23(17-26(22)30)31-13-15-32(16-14-31)24-10-11-25(29(35)36)27(34)18-24/h2-6,8-11,17-18,20,28,34H,7,12-16,19H2,1H3,(H,35,36)/t20-,28+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338426
PNG
(2-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(CCO)cc1F
Show InChI InChI=1S/C20H23F2NO3S/c1-14-7-8-20(15-5-3-2-4-6-15)27(25,26)23(14)13-17-12-18(21)16(9-10-24)11-19(17)22/h2-6,11-12,14,20,24H,7-10,13H2,1H3/t14-,20+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338323
PNG
((3S,6R)-2-{2-Fluoro-4-[4-(3-methyl- [1,2,4]triazol...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC(CC1)n1cnnc1C
Show InChI InChI=1S/C26H32FN5O2S/c1-19-8-11-26(21-6-4-3-5-7-21)35(33,34)32(19)17-22-9-10-24(16-25(22)27)30-14-12-23(13-15-30)31-18-28-29-20(31)2/h3-7,9-10,16,18-19,23,26H,8,11-15,17H2,1-2H3/t19-,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338370
PNG
((3S,6R)-2-[2-Fluoro-4-(tetrahydro- pyran-4-yl)-ben...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)C1CCOCC1
Show InChI InChI=1S/C23H28FNO3S/c1-17-7-10-23(19-5-3-2-4-6-19)29(26,27)25(17)16-21-9-8-20(15-22(21)24)18-11-13-28-14-12-18/h2-6,8-9,15,17-18,23H,7,10-14,16H2,1H3/t17-,23+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338357
PNG
((1S,5R,6S)-3-[3-Fluoro-4-((3S,6R)- 3-methyl-1,1-di...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1C[C@@H]2C[C@H](C1)[C@H]2n1cnnc1
Show InChI InChI=1S/C26H30FN5O2S/c1-18-7-10-25(19-5-3-2-4-6-19)35(33,34)32(18)15-20-8-9-23(12-24(20)27)30-13-21-11-22(14-30)26(21)31-16-28-29-17-31/h2-6,8-9,12,16-18,21-22,25-26H,7,10-11,13-15H2,1H3/t18-,21-,22+,25+,26-/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338340
PNG
(3-[3-Fluoro-4-((3S,6R)-3-methyl- 1,1-dioxo-6-pheny...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC2CC2C(C1)n1cnnc1
Show InChI InChI=1S/C26H30FN5O2S/c1-18-7-10-26(19-5-3-2-4-6-19)35(33,34)32(18)14-20-8-9-22(12-24(20)27)30-13-21-11-23(21)25(15-30)31-16-28-29-17-31/h2-6,8-9,12,16-18,21,23,25-26H,7,10-11,13-15H2,1H3/t18-,21?,23?,25?,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338369
PNG
(US9751873, Example 56 | US9751873, Example 58 | {(...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@@H]([C@@H](CO)C1)n1cnnc1
Show InChI InChI=1S/C26H32FN5O3S/c1-19-7-10-26(20-5-3-2-4-6-20)36(34,35)32(19)15-21-8-9-23(13-24(21)27)30-12-11-25(22(14-30)16-33)31-17-28-29-18-31/h2-6,8-9,13,17-19,22,25-26,33H,7,10-12,14-16H2,1H3/t19-,22+,25-,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338316
PNG
(US9751873, Example 2 | {1-[3-Fluoro-4-((3S,6S)-3-m...)
Show SMILES C[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC(CO)(CC1)n1cnnc1
Show InChI InChI=1S/C26H32FN5O3S/c1-20-7-10-25(21-5-3-2-4-6-21)36(34,35)32(20)16-22-8-9-23(15-24(22)27)30-13-11-26(17-33,12-14-30)31-18-28-29-19-31/h2-6,8-9,15,18-20,25,33H,7,10-14,16-17H2,1H3/t20-,25-/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338328
PNG
((3S,6R)-2-{2-Fluoro-4-[4-(3- methoxymethyl-[1,2,4]...)
Show SMILES COCc1nncn1C1CCN(CC1)c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C27H34FN5O3S/c1-20-8-11-26(21-6-4-3-5-7-21)37(34,35)33(20)17-22-9-10-24(16-25(22)28)31-14-12-23(13-15-31)32-19-29-30-27(32)18-36-2/h3-7,9-10,16,19-20,23,26H,8,11-15,17-18H2,1-2H3/t20-,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338346
PNG
((3S,6S)-2-[3-Fluoro-4-(4- [1,2,4]triazol-4-yl-pipe...)
Show SMILES C[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC(CC2)n2cnnc2)c(F)c1
Show InChI InChI=1S/C25H30FN5O2S/c1-19-7-10-25(21-5-3-2-4-6-21)34(32,33)31(19)16-20-8-9-24(23(26)15-20)29-13-11-22(12-14-29)30-17-27-28-18-30/h2-6,8-9,15,17-19,22,25H,7,10-14,16H2,1H3/t19-,25-/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338334
PNG
((3S,6R)-2-[2,3-Difluoro-4-(4- [1,2,4]triazol-4-yl-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC(CC2)n2cnnc2)c(F)c1F
Show InChI InChI=1S/C25H29F2N5O2S/c1-18-7-10-23(19-5-3-2-4-6-19)35(33,34)32(18)15-20-8-9-22(25(27)24(20)26)30-13-11-21(12-14-30)31-16-28-29-17-31/h2-6,8-9,16-18,21,23H,7,10-15H2,1H3/t18-,23+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338376
PNG
(4-[3-Fluoro-4-((3S,6R)-3-methyl- 1,1-dioxo-6-pheny...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCOCC1
Show InChI InChI=1S/C22H27FN2O3S/c1-17-7-10-22(18-5-3-2-4-6-18)29(26,27)25(17)16-19-8-9-20(15-21(19)23)24-11-13-28-14-12-24/h2-6,8-9,15,17,22H,7,10-14,16H2,1H3/t17-,22+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338363
PNG
(4-{4-[3-Fluoro-4-((3S,6R)-3-methyl- 1,1-dioxo-6-ph...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H32FN3O4S/c1-21-7-14-28(22-5-3-2-4-6-22)38(36,37)33(21)20-24-10-13-26(19-27(24)30)32-17-15-31(16-18-32)25-11-8-23(9-12-25)29(34)35/h2-6,8-13,19,21,28H,7,14-18,20H2,1H3,(H,34,35)/t21-,28+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338347
PNG
((1R,3S,5S)-8-[3-Fluoro-4-((3S,6R)- 3-methyl-1,1-di...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1[C@H]2CC[C@@H]1C[C@H](C2)n1cnnc1
Show InChI InChI=1S/C27H32FN5O2S/c1-19-7-12-27(20-5-3-2-4-6-20)36(34,35)32(19)16-21-8-9-24(15-26(21)28)33-22-10-11-23(33)14-25(13-22)31-17-29-30-18-31/h2-6,8-9,15,17-19,22-23,25,27H,7,10-14,16H2,1H3/t19-,22-,23+,25-,27+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338377
PNG
((R)-8-[3-Fluoro-4-((3S,6R)-3- methyl-1,1-dioxo-6-p...)
Show SMILES COC(=O)[C@H]1CC2(CCN1c1ccc(CN3[C@@H](C)CC[C@H](c4ccccc4)S3(=O)=O)c(F)c1)OCCO2
Show InChI InChI=1S/C27H33FN2O6S/c1-19-8-11-25(20-6-4-3-5-7-20)37(32,33)30(19)18-21-9-10-22(16-23(21)28)29-13-12-27(35-14-15-36-27)17-24(29)26(31)34-2/h3-7,9-10,16,19,24-25H,8,11-15,17-18H2,1-2H3/t19-,24+,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338408
PNG
(4-[4-[3-fluoro-4-[[(3S,6R)-3-methyl- 1,1-dioxo-6-p...)
Show SMILES C[C@H]1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C29H32FN3O5S/c1-20-7-12-28(21-5-3-2-4-6-21)39(37,38)33(20)19-22-8-9-23(17-26(22)30)31-13-15-32(16-14-31)24-10-11-25(29(35)36)27(34)18-24/h2-6,8-11,17-18,20,28,34H,7,12-16,19H2,1H3,(H,35,36)/t20-,28?/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338396
PNG
(8-(3-fluoro-4-(((3S,6R)-3-methyl- 1,1-dioxido-6-ph...)
Show SMILES CC1CC2(CCN(CC2)c2ccc(CN3[C@@H](C)CC[C@H](c4ccccc4)S3(=O)=O)c(F)c2)OC1=O
Show InChI InChI=1S/C27H33FN2O4S/c1-19-17-27(34-26(19)31)12-14-29(15-13-27)23-10-9-22(24(28)16-23)18-30-20(2)8-11-25(35(30,32)33)21-6-4-3-5-7-21/h3-7,9-10,16,19-20,25H,8,11-15,17-18H2,1-2H3/t19?,20-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338420
PNG
(US9751873, Example 107 | methyl 4-[2,5-difluoro-4-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C1COCCC1C(O)=O
Show InChI InChI=1S/C24H27F2NO5S/c1-15-7-8-23(16-5-3-2-4-6-16)33(30,31)27(15)13-17-11-22(26)19(12-21(17)25)20-14-32-10-9-18(20)24(28)29/h2-6,11-12,15,18,20,23H,7-10,13-14H2,1H3,(H,28,29)/t15-,18?,20?,23+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338443
PNG
(3-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)CC(N)=O
Show InChI InChI=1S/C22H26F2N2O4S/c1-14-7-8-21(15-5-3-2-4-6-15)31(29,30)26(14)12-16-9-20(24)18(11-19(16)23)17(13-27)10-22(25)28/h2-6,9,11,14,17,21,27H,7-8,10,12-13H2,1H3,(H2,25,28)/t14-,17?,21+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338443
PNG
(3-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)CC(N)=O
Show InChI InChI=1S/C22H26F2N2O4S/c1-14-7-8-21(15-5-3-2-4-6-15)31(29,30)26(14)12-16-9-20(24)18(11-19(16)23)17(13-27)10-22(25)28/h2-6,9,11,14,17,21,27H,7-8,10,12-13H2,1H3,(H2,25,28)/t14-,17?,21+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338349
PNG
((1R,5S,8R)-3-[3-Fluoro-4-((3S,6S)- 3-methyl-1,1-di...)
Show SMILES C[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1C[C@@H]2CC[C@H](C1)[C@@H]2n1cnnc1
Show InChI InChI=1S/C27H32FN5O2S/c1-19-7-12-26(20-5-3-2-4-6-20)36(34,35)33(19)16-21-10-11-24(13-25(21)28)31-14-22-8-9-23(15-31)27(22)32-17-29-30-18-32/h2-6,10-11,13,17-19,22-23,26-27H,7-9,12,14-16H2,1H3/t19-,22-,23+,26-,27+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338427
PNG
(2-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(CC(=O)N[C@H]2C[C@H](O)C2)cc1F
Show InChI InChI=1S/C24H28F2N2O4S/c1-15-7-8-23(16-5-3-2-4-6-16)33(31,32)28(15)14-18-10-21(25)17(9-22(18)26)11-24(30)27-19-12-20(29)13-19/h2-6,9-10,15,19-20,23,29H,7-8,11-14H2,1H3,(H,27,30)/t15-,19-,20-,23+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338326
PNG
((3R,4R)-1-[3-Fluoro-4-((3S,6R)-3- methyl-1,1-dioxo...)
Show SMILES COC(=O)[C@@H]1CN(CC[C@H]1n1cnnc1)c1ccc(CN2[C@@H](C)CC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C27H32FN5O4S/c1-19-8-11-26(20-6-4-3-5-7-20)38(35,36)33(19)15-21-9-10-22(14-24(21)28)31-13-12-25(32-17-29-30-18-32)23(16-31)27(34)37-2/h3-7,9-10,14,17-19,23,25-26H,8,11-13,15-16H2,1-2H3/t19-,23+,25+,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338320
PNG
((3S,6S)-2-{2-Fluoro-4-[4-(3-methyl- [1,2,4]triazol...)
Show SMILES C[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC(CC1)n1cnnc1C
Show InChI InChI=1S/C26H32FN5O2S/c1-19-8-11-26(21-6-4-3-5-7-21)35(33,34)32(19)17-22-9-10-24(16-25(22)27)30-14-12-23(13-15-30)31-18-28-29-20(31)2/h3-7,9-10,16,18-19,23,26H,8,11-15,17H2,1-2H3/t19-,26-/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338322
PNG
(1-{(R)-4-[3-Fluoro-4-((3S,6R)-3- methyl-1,1-dioxo-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(C[C@@H]1CO)C(C)=O
Show InChI InChI=1S/C25H32FN3O4S/c1-18-8-11-25(20-6-4-3-5-7-20)34(32,33)29(18)15-21-9-10-22(14-24(21)26)28-13-12-27(19(2)31)16-23(28)17-30/h3-7,9-10,14,18,23,25,30H,8,11-13,15-17H2,1-2H3/t18-,23+,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338401
PNG
(1-[4-[[3-fluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)C(O)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C26H33FN2O4S/c1-18-8-11-25(20-6-4-3-5-7-20)34(32,33)29(18)17-23-10-9-22(16-24(23)27)26(31)21-12-14-28(15-13-21)19(2)30/h3-7,9-10,16,18,21,25-26,31H,8,11-15,17H2,1-2H3/t18-,25+,26?/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338384
PNG
((3R,6R)-2-(4-(4-(4H-1,2,4-triazol-4- yl)piperidin-...)
Show SMILES Fc1cc(N2CCC(CC2)n2cnnc2)c(F)cc1CN1[C@H](CC[C@H](c2ccccc2)S1(=O)=O)C(F)(F)F
Show InChI InChI=1S/C25H26F5N5O2S/c26-20-13-22(33-10-8-19(9-11-33)34-15-31-32-16-34)21(27)12-18(20)14-35-24(25(28,29)30)7-6-23(38(35,36)37)17-4-2-1-3-5-17/h1-5,12-13,15-16,19,23-24H,6-11,14H2/t23-,24-/m1/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338428
PNG
(2-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(CC(N)=O)cc1F
Show InChI InChI=1S/C20H22F2N2O3S/c1-13-7-8-19(14-5-3-2-4-6-14)28(26,27)24(13)12-16-10-17(21)15(9-18(16)22)11-20(23)25/h2-6,9-10,13,19H,7-8,11-12H2,1H3,(H2,23,25)/t13-,19+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM50132474
PNG
(CHEMBL3634611 | US9751873, Example 32)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)C1(CCN(CC1)C(C)=O)OC(N)=O
Show InChI InChI=1S/C26H32FN3O5S/c1-18-8-11-24(20-6-4-3-5-7-20)36(33,34)30(18)17-21-9-10-22(16-23(21)27)26(35-25(28)32)12-14-29(15-13-26)19(2)31/h3-7,9-10,16,18,24H,8,11-15,17H2,1-2H3,(H2,28,32)/t18-,24+/m0/s1
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US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338325
PNG
((4-{1-[3-Fluoro-4-((3S,6R)-3- methyl-1,1-dioxo-6-p...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC(CC1)n1cnnc1CC#N
Show InChI InChI=1S/C27H31FN6O2S/c1-20-7-10-26(21-5-3-2-4-6-21)37(35,36)34(20)18-22-8-9-24(17-25(22)28)32-15-12-23(13-16-32)33-19-30-31-27(33)11-14-29/h2-6,8-9,17,19-20,23,26H,7,10-13,15-16,18H2,1H3/t20-,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338437
PNG
(2-[1-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(C)(C)OCC(O)=O
Show InChI InChI=1S/C23H27F2NO5S/c1-15-9-10-21(16-7-5-4-6-8-16)32(29,30)26(15)13-17-11-20(25)18(12-19(17)24)23(2,3)31-14-22(27)28/h4-8,11-12,15,21H,9-10,13-14H2,1-3H3,(H,27,28)/t15-,21+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338435
PNG
(1-[4-[4-[[(6S)-5,5-dioxo-6-phenyl- 5$1{circumflex ...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN2C3(CC3)CC[C@@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C25H30FN3O3S/c1-19(30)27-13-15-28(16-14-27)22-8-7-21(23(26)17-22)18-29-25(11-12-25)10-9-24(33(29,31)32)20-5-3-2-4-6-20/h2-8,17,24H,9-16,18H2,1H3/t24-/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338378
PNG
((3S,6R)-2-[2-Fluoro-4-((S)-3- [1,2,4]triazol-4-yl-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC[C@@H](C1)n1cnnc1
Show InChI InChI=1S/C25H30FN5O2S/c1-19-9-12-25(20-6-3-2-4-7-20)34(32,33)31(19)15-21-10-11-22(14-24(21)26)29-13-5-8-23(16-29)30-17-27-28-18-30/h2-4,6-7,10-11,14,17-19,23,25H,5,8-9,12-13,15-16H2,1H3/t19-,23-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338360
PNG
((4-{1-[3-Fluoro-4-((3S,6R)-3- methyl-1,1-dioxo-6-p...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC(CC1)n1cnnc1CO
Show InChI InChI=1S/C26H32FN5O3S/c1-19-7-10-25(20-5-3-2-4-6-20)36(34,35)32(19)16-21-8-9-23(15-24(21)27)30-13-11-22(12-14-30)31-18-28-29-26(31)17-33/h2-6,8-9,15,18-19,22,25,33H,7,10-14,16-17H2,1H3/t19-,25+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338361
PNG
((4-{1-[3-Fluoro-4-((3S,6S)-3- methyl-1,1-dioxo-6-p...)
Show SMILES C[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC(CC1)n1cnnc1CO
Show InChI InChI=1S/C26H32FN5O3S/c1-19-7-10-25(20-5-3-2-4-6-20)36(34,35)32(19)16-21-8-9-23(15-24(21)27)30-13-11-22(12-14-30)31-18-28-29-26(31)17-33/h2-6,8-9,15,18-19,22,25,33H,7,10-14,16-17H2,1H3/t19-,25-/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338319
PNG
((3S,6S)-2-[2-Fluoro-4-(4- [1,2,4]triazol-4-yl-pipe...)
Show SMILES C[C@H]1CC[C@@](C)(c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC(CC1)n1cnnc1
Show InChI InChI=1S/C26H32FN5O2S/c1-20-10-13-26(2,22-6-4-3-5-7-22)35(33,34)32(20)17-21-8-9-24(16-25(21)27)30-14-11-23(12-15-30)31-18-28-29-19-31/h3-9,16,18-20,23H,10-15,17H2,1-2H3/t20-,26-/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338363
PNG
(4-{4-[3-Fluoro-4-((3S,6R)-3-methyl- 1,1-dioxo-6-ph...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H32FN3O4S/c1-21-7-14-28(22-5-3-2-4-6-22)38(36,37)33(21)20-24-10-13-26(19-27(24)30)32-17-15-31(16-18-32)25-11-8-23(9-12-25)29(34)35/h2-6,8-13,19,21,28H,7,14-18,20H2,1H3,(H,34,35)/t21-,28+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338356
PNG
(4-[4-((S)-3-Methyl-1,1-dioxo-6- phenyl-[1,2]thiazi...)
Show SMILES C[C@H]1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1)C12CCC(CC1)NC2=O
Show InChI InChI=1S/C25H30N2O3S/c1-18-7-12-23(20-5-3-2-4-6-20)31(29,30)27(18)17-19-8-10-21(11-9-19)25-15-13-22(14-16-25)26-24(25)28/h2-6,8-11,18,22-23H,7,12-17H2,1H3,(H,26,28)/t18-,22?,23?,25?/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338369
PNG
(US9751873, Example 56 | US9751873, Example 58 | {(...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CC[C@@H]([C@@H](CO)C1)n1cnnc1
Show InChI InChI=1S/C26H32FN5O3S/c1-19-7-10-26(20-5-3-2-4-6-20)36(34,35)32(19)15-21-8-9-23(13-24(21)27)30-12-11-25(22(14-30)16-33)31-17-28-29-18-31/h2-6,8-9,13,17-19,22,25-26,33H,7,10-12,14-16H2,1H3/t19-,22+,25-,26+/m0/s1
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Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338364
PNG
((3S,6R)-2-[2-Fluoro-4-(1-oxy-4- [1,2,4]triazol-4-y...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)[N+]1([O-])CCC(CC1)n1cnnc1
Show InChI InChI=1S/C25H30FN5O3S/c1-19-7-10-25(20-5-3-2-4-6-20)35(33,34)30(19)16-21-8-9-23(15-24(21)26)31(32)13-11-22(12-14-31)29-17-27-28-18-29/h2-6,8-9,15,17-19,22,25H,7,10-14,16H2,1H3/t19-,22?,25+,31?/m0/s1
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US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338473
PNG
(2-[2,5-difluoro-4-[[(3S,6R)-3- methyl-1,1-dioxo-6-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(CC(=O)N[C@@H]2C[C@H](O)C2)cc1F
Show InChI InChI=1S/C24H28F2N2O4S/c1-15-7-8-23(16-5-3-2-4-6-16)33(31,32)28(15)14-18-10-21(25)17(9-22(18)26)11-24(30)27-19-12-20(29)13-19/h2-6,9-10,15,19-20,23,29H,7-8,11-14H2,1H3,(H,27,30)/t15-,19-,20+,23+/m0/s1
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US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338472
PNG
((3S,4S)-3-[2,5-difluoro-4-[[(3S,6R)- 3-methyl-1,1-...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)[C@H]1COCC[C@@H]1C(O)=O
Show InChI InChI=1S/C24H27F2NO5S/c1-15-7-8-23(16-5-3-2-4-6-16)33(30,31)27(15)13-17-11-22(26)19(12-21(17)25)20-14-32-10-9-18(20)24(28)29/h2-6,11-12,15,18,20,23H,7-10,13-14H2,1H3,(H,28,29)/t15-,18-,20-,23+/m0/s1
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US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338366
PNG
(1-{4-[2-Hydroxymethyl-4-((3S,6R)- 3-methyl-1,1-dio...)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCN(CC2)C(C)=O)c(CO)c1
Show InChI InChI=1S/C25H33N3O4S/c1-19-8-11-25(22-6-4-3-5-7-22)33(31,32)28(19)17-21-9-10-24(23(16-21)18-29)27-14-12-26(13-15-27)20(2)30/h3-7,9-10,16,19,25,29H,8,11-15,17-18H2,1-2H3/t19-,25+/m0/s1
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US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338475
PNG
(4-[4-[3-fluoro-4-[[(3S,6S)-3-methyl- 1,1-dioxo-6-p...)
Show SMILES C[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C29H32FN3O5S/c1-20-7-12-28(21-5-3-2-4-6-21)39(37,38)33(20)19-22-8-9-23(17-26(22)30)31-13-15-32(16-14-31)24-10-11-25(29(35)36)27(34)18-24/h2-6,8-11,17-18,20,28,34H,7,12-16,19H2,1H3,(H,35,36)/t20-,28-/m0/s1
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US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM338474
PNG
(4-[4-[3-fluoro-4-[[(3S,6S)-3-methyl- 1,1-dioxo-6-p...)
Show SMILES C[C@H]1CC[C@@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H32FN3O4S/c1-21-7-14-28(22-5-3-2-4-6-22)38(36,37)33(21)20-24-10-13-26(19-27(24)30)32-17-15-31(16-18-32)25-11-8-23(9-12-25)29(34)35/h2-6,8-13,19,21,28H,7,14-18,20H2,1H3,(H,34,35)/t21-,28-/m0/s1
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US Patent


Assay Description
Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...

US Patent US9751873 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41NZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%