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Patent code US9783511

Compile Data Set for Download or QSAR

Found 263 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


(Homo sapiens (Human))
BDBM344431
PNG
((R and S)-ethyl 3-((S)-4-((4- fluoro-3- (trifluoro...)
Show SMILES CCOC(=O)[C@@H](C)C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F7N2O7S/c1-5-40-22(36)14(2)10-16-13-35(43(38,39)17-7-8-19(27)18(12-17)25(28,29)30)20-11-15(6-9-21(20)41-16)34-23(37)42-24(3,4)26(31,32)33/h6-9,11-12,14,16H,5,10,13H2,1-4H3,(H,34,37)/t14-,16-/m0/s1
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US Patent
n/an/a 3n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344671
PNG
(3-((S)-4-((4-fluoro-3-methoxyphenyl)sulfonyl)-6-((...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)O[C@H](C(C)(C)C)C(F)(F)F)cc12
Show InChI InChI=1S/C25H28F4N2O8S/c1-24(2,3)22(25(27,28)29)39-23(34)30-14-5-9-19-18(11-14)31(13-15(38-19)6-10-21(32)33)40(35,36)16-7-8-17(26)20(12-16)37-4/h5,7-9,11-12,15,22H,6,10,13H2,1-4H3,(H,30,34)(H,32,33)/t15-,22+/m0/s1
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n/an/a 3.04n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344676
PNG
(3-{(2S)-4-[(4-fluoro-3- methoxyphenyl)sulfonyl]-6-...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)O[C@H](C)C(C)(C)C)cc12
Show InChI InChI=1S/C25H31FN2O8S/c1-15(25(2,3)4)35-24(31)27-16-6-10-21-20(12-16)28(14-17(36-21)7-11-23(29)30)37(32,33)18-8-9-19(26)22(13-18)34-5/h6,8-10,12-13,15,17H,7,11,14H2,1-5H3,(H,27,31)(H,29,30)/t15-,17+/m1/s1
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US Patent
n/an/a 3.73n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344675
PNG
(3-{(2S)-4-[(4-fluoro-3- methoxyphenyl)sulfonyl]-6-...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)O[C@@H](C)C(C)(C)C)cc12
Show InChI InChI=1S/C25H31FN2O8S/c1-15(25(2,3)4)35-24(31)27-16-6-10-21-20(12-16)28(14-17(36-21)7-11-23(29)30)37(32,33)18-8-9-19(26)22(13-18)34-5/h6,8-10,12-13,15,17H,7,11,14H2,1-5H3,(H,27,31)(H,29,30)/t15-,17-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344688
PNG
(3-[(2S)-8-fluoro-4-[(4- fluoro-3- methoxyphenyl)su...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2c(F)cc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C23H23F5N2O8S/c1-22(2,23(26,27)28)38-21(33)29-12-8-16(25)20-17(9-12)30(11-13(37-20)4-7-19(31)32)39(34,35)14-5-6-15(24)18(10-14)36-3/h5-6,8-10,13H,4,7,11H2,1-3H3,(H,29,33)(H,31,32)/t13-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344461
PNG
((S)-3-(4-((4-fluoro-3- methylphenyl)sulfonyl)-6- (...)
Show SMILES Cc1cc(ccc1F)S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C23H24F4N2O7S/c1-13-10-16(6-7-17(13)24)37(33,34)29-12-15(5-9-20(30)31)35-19-8-4-14(11-18(19)29)28-21(32)36-22(2,3)23(25,26)27/h4,6-8,10-11,15H,5,9,12H2,1-3H3,(H,28,32)(H,30,31)/t15-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344465
PNG
((S)-3-(4-((3- (difluoromethoxy)phenyl) sulfonyl)-6...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CCC(O)=O)CN(c2c1)S(=O)(=O)c1cccc(OC(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C23H23F5N2O8S/c1-22(2,23(26,27)28)38-21(33)29-13-6-8-18-17(10-13)30(12-15(36-18)7-9-19(31)32)39(34,35)16-5-3-4-14(11-16)37-20(24)25/h3-6,8,10-11,15,20H,7,9,12H2,1-2H3,(H,29,33)(H,31,32)/t15-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344470
PNG
((S)-3-(6-((((1,1,1-trifluoro- 2-methylpropan-2- yl...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CCC(O)=O)CN(c2c1)S(=O)(=O)c1cncc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H21F6N3O7S/c1-20(2,22(26,27)28)38-19(34)30-13-3-5-17-16(8-13)31(11-14(37-17)4-6-18(32)33)39(35,36)15-7-12(9-29-10-15)21(23,24)25/h3,5,7-10,14H,4,6,11H2,1-2H3,(H,30,34)(H,32,33)/t14-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344471
PNG
((S)-3-(4-((2-methoxy- 4,5,6,7- tetrahydropyrazolo[...)
Show SMILES COc1nn2CCCCc2c1S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C24H29F3N4O8S/c1-23(2,24(25,26)27)39-22(34)28-14-7-9-18-17(12-14)31(13-15(38-18)8-10-19(32)33)40(35,36)20-16-6-4-5-11-30(16)29-21(20)37-3/h7,9,12,15H,4-6,8,10-11,13H2,1-3H3,(H,28,34)(H,32,33)/t15-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344460
PNG
((S)-3-(4-((4-fluoro-3- methoxyphenyl)sulfonyl)- 6-...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C23H24F4N2O8S/c1-22(2,23(25,26)27)37-21(32)28-13-4-8-18-17(10-13)29(12-14(36-18)5-9-20(30)31)38(33,34)15-6-7-16(24)19(11-15)35-3/h4,6-8,10-11,14H,5,9,12H2,1-3H3,(H,28,32)(H,30,31)/t14-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344672
PNG
(3-((S)-4-((4-fluoro-3-methoxyphenyl)sulfonyl)-6-((...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)O[C@@H](C(C)(C)C)C(F)(F)F)cc12
Show InChI InChI=1S/C25H28F4N2O8S/c1-24(2,3)22(25(27,28)29)39-23(34)30-14-5-9-19-18(11-14)31(13-15(38-19)6-10-21(32)33)40(35,36)16-7-8-17(26)20(12-16)37-4/h5,7-9,11-12,15,22H,6,10,13H2,1-4H3,(H,30,34)(H,32,33)/t15-,22-/m0/s1
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n/an/a 4.36n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344665
PNG
((1R,2S or 1R,2R or 1S,2S or 1S,2R)-2-((S)-4-((3-ch...)
Show SMILES CCn1cc(c(Cl)n1)S(=O)(=O)N1C[C@@H](Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12)[C@H]1C[C@H]1C(O)=O
Show InChI InChI=1S/C22H24ClF3N4O7S/c1-4-29-10-17(18(23)28-29)38(34,35)30-9-16(12-8-13(12)19(31)32)36-15-6-5-11(7-14(15)30)27-20(33)37-21(2,3)22(24,25)26/h5-7,10,12-13,16H,4,8-9H2,1-3H3,(H,27,33)(H,31,32)/t12-,13+,16+/m0/s1
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n/an/a 4.63n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344678
PNG
(3-((S)-4-((4-fluoro-3- methoxyphenyl)sulfonyl)-6- ...)
Show SMILES CCC(C)(OC(=O)Nc1ccc2O[C@@H](CCC(O)=O)CN(c2c1)S(=O)(=O)c1ccc(F)c(OC)c1)C(F)(F)F
Show InChI InChI=1S/C24H26F4N2O8S/c1-4-23(2,24(26,27)28)38-22(33)29-14-5-9-19-18(11-14)30(13-15(37-19)6-10-21(31)32)39(34,35)16-7-8-17(25)20(12-16)36-3/h5,7-9,11-12,15H,4,6,10,13H2,1-3H3,(H,29,33)(H,31,32)/t15-,23?/m0/s1
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n/an/a 4.69n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344677
PNG
(3-{(2S)-4-[(4-fluoro-3- methoxyphenyl)sulfonyl]-6-...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)OC3(CCCCC3)C(F)(F)F)cc12
Show InChI InChI=1S/C26H28F4N2O8S/c1-38-22-14-18(7-8-19(22)27)41(36,37)32-15-17(6-10-23(33)34)39-21-9-5-16(13-20(21)32)31-24(35)40-25(26(28,29)30)11-3-2-4-12-25/h5,7-9,13-14,17H,2-4,6,10-12,15H2,1H3,(H,31,35)(H,33,34)/t17-/m0/s1
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n/an/a 4.71n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344491
PNG
((S)-4-((2-(2-carboxyethyl)- 6-((((1,1,1-trifluoro-...)
Show SMILES CCOc1nn(CC(F)F)cc1S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C23H27F5N4O8S/c1-4-38-20-17(11-31(30-20)12-18(24)25)41(36,37)32-10-14(6-8-19(33)34)39-16-7-5-13(9-15(16)32)29-21(35)40-22(2,3)23(26,27)28/h5,7,9,11,14,18H,4,6,8,10,12H2,1-3H3,(H,29,35)(H,33,34)/t14-/m0/s1
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n/an/a 4.86n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344446
PNG
((S)-3-(4-((3-chloro-4- fluorophenyl)sulfonyl)-6- (...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CCC(O)=O)CN(c2c1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C22H21ClF4N2O7S/c1-21(2,22(25,26)27)36-20(32)28-12-3-7-18-17(9-12)29(11-13(35-18)4-8-19(30)31)37(33,34)14-5-6-16(24)15(23)10-14/h3,5-7,9-10,13H,4,8,11H2,1-2H3,(H,28,32)(H,30,31)/t13-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344439
PNG
((S)-ethyl 3-(6-((((1,1,1-trifluoro- 2-methylpropan...)
Show SMILES CCOC(=O)CC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H26F6N2O7S/c1-4-38-21(34)11-9-17-14-33(41(36,37)18-7-5-6-15(12-18)24(26,27)28)19-13-16(8-10-20(19)39-17)32-22(35)40-23(2,3)25(29,30)31/h5-8,10,12-13,17H,4,9,11,14H2,1-3H3,(H,32,35)/t17-/m0/s1
PDB

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n/an/a 5n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344452
PNG
((R or S)-3-((S)-4-((3- chloro-1-ethyl-1H-pyrazol- ...)
Show SMILES CCn1cc(c(Cl)n1)S(=O)(=O)N1C[C@H](C[C@@H](C)C(O)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C22H26ClF3N4O7S/c1-5-29-11-17(18(23)28-29)38(34,35)30-10-14(8-12(2)19(31)32)36-16-7-6-13(9-15(16)30)27-20(33)37-21(3,4)22(24,25)26/h6-7,9,11-12,14H,5,8,10H2,1-4H3,(H,27,33)(H,31,32)/t12-,14+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344543
PNG
((S or R)-3-((S)-4-((3- (difluoromethoxy)phenyl) su...)
Show SMILES C[C@H](C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1cccc(OC(F)F)c1)C(O)=O
Show InChI InChI=1S/C24H25F5N2O8S/c1-13(20(32)33)9-16-12-31(40(35,36)17-6-4-5-15(11-17)38-21(25)26)18-10-14(7-8-19(18)37-16)30-22(34)39-23(2,3)24(27,28)29/h4-8,10-11,13,16,21H,9,12H2,1-3H3,(H,30,34)(H,32,33)/t13-,16+/m1/s1
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n/an/a 5.25n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344549
PNG
((R or S)-3-((S)-4-((4-fluoro- 3-methylphenyl)sulfo...)
Show SMILES C[C@H](C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(C)c1)C(O)=O
Show InChI InChI=1S/C24H26F4N2O7S/c1-13-10-17(6-7-18(13)25)38(34,35)30-12-16(9-14(2)21(31)32)36-20-8-5-15(11-19(20)30)29-22(33)37-23(3,4)24(26,27)28/h5-8,10-11,14,16H,9,12H2,1-4H3,(H,29,33)(H,31,32)/t14-,16+/m1/s1
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n/an/a 5.44n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344489
PNG
((S)-3-(4-((2-methoxy-5- methylphenyl)sulfonyl)-6- ...)
Show SMILES COc1ccc(C)cc1S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C24H27F3N2O8S/c1-14-5-8-19(35-4)20(11-14)38(33,34)29-13-16(7-10-21(30)31)36-18-9-6-15(12-17(18)29)28-22(32)37-23(2,3)24(25,26)27/h5-6,8-9,11-12,16H,7,10,13H2,1-4H3,(H,28,32)(H,30,31)/t16-/m0/s1
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n/an/a 5.64n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344692
PNG
(3-[(2S)-4-[(3-chloro-4- fluorophenyl)sulfonyl]-8- ...)
Show SMILES CC(C)(OC(=O)Nc1cc(F)c2O[C@@H](CCC(O)=O)CN(c2c1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C22H20ClF5N2O7S/c1-21(2,22(26,27)28)37-20(33)29-11-7-16(25)19-17(8-11)30(10-12(36-19)3-6-18(31)32)38(34,35)13-4-5-15(24)14(23)9-13/h4-5,7-9,12H,3,6,10H2,1-2H3,(H,29,33)(H,31,32)/t12-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344687
PNG
(3-[(2S)-8-fluoro-4-[(4- fluoro-3- methylphenyl)sul...)
Show SMILES Cc1cc(ccc1F)S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2c(F)cc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C23H23F5N2O7S/c1-12-8-15(5-6-16(12)24)38(34,35)30-11-14(4-7-19(31)32)36-20-17(25)9-13(10-18(20)30)29-21(33)37-22(2,3)23(26,27)28/h5-6,8-10,14H,4,7,11H2,1-3H3,(H,29,33)(H,31,32)/t14-/m0/s1
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n/an/a 5.71n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344500
PNG
((S)-3-(4-((2-chloro-4,5,6,7- tetrahydropyrazolo[1,...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CCC(O)=O)CN(c2c1)S(=O)(=O)c1c(Cl)nn2CCCCc12)C(F)(F)F
Show InChI InChI=1S/C23H26ClF3N4O7S/c1-22(2,23(25,26)27)38-21(34)28-13-6-8-17-16(11-13)31(12-14(37-17)7-9-18(32)33)39(35,36)19-15-5-3-4-10-30(15)29-20(19)24/h6,8,11,14H,3-5,7,9-10,12H2,1-2H3,(H,28,34)(H,32,33)/t14-/m0/s1
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n/an/a 5.76n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344668
PNG
((1R,2S or 1R,2R or 1S,2S or 1S,2R)-2-((S)-4-((4-fl...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)N1C[C@@H](Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12)[C@@H]1C[C@@H]1C(O)=O
Show InChI InChI=1S/C24H24F4N2O8S/c1-23(2,24(26,27)28)38-22(33)29-12-4-7-18-17(8-12)30(11-20(37-18)14-10-15(14)21(31)32)39(34,35)13-5-6-16(25)19(9-13)36-3/h4-9,14-15,20H,10-11H2,1-3H3,(H,29,33)(H,31,32)/t14-,15+,20-/m1/s1
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n/an/a 5.87n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344658
PNG
((1S,2S)-2-((S)-4-((4-fluoro-3-(trifluoromethyl)phe...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@H](CN(c2c1)S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F)[C@H]1C[C@@H]1C(O)=O)C(F)(F)F
Show InChI InChI=1S/C24H21F7N2O7S/c1-22(2,24(29,30)31)40-21(36)32-11-3-6-18-17(7-11)33(10-19(39-18)13-9-14(13)20(34)35)41(37,38)12-4-5-16(25)15(8-12)23(26,27)28/h3-8,13-14,19H,9-10H2,1-2H3,(H,32,36)(H,34,35)/t13-,14-,19+/m0/s1
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n/an/a 5.87n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344441
PNG
((S)-ethyl 3-(4-((3-chloro-1-ethyl- 1H-pyrazol-4-yl...)
Show SMILES CCOC(=O)CC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1cn(CC)nc1Cl
Show InChI InChI=1S/C23H28ClF3N4O7S/c1-5-30-13-18(20(24)29-30)39(34,35)31-12-15(8-10-19(32)36-6-2)37-17-9-7-14(11-16(17)31)28-21(33)38-22(3,4)23(25,26)27/h7,9,11,13,15H,5-6,8,10,12H2,1-4H3,(H,28,33)/t15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344447
PNG
((S)-3-(6-((((1,1,1-trifluoro- 2-methylpropan-2- yl...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CCC(O)=O)CN(c2c1)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F6N2O7S/c1-21(2,23(27,28)29)38-20(34)30-14-6-8-18-17(11-14)31(12-15(37-18)7-9-19(32)33)39(35,36)16-5-3-4-13(10-16)22(24,25)26/h3-6,8,10-11,15H,7,9,12H2,1-2H3,(H,30,34)(H,32,33)/t15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344434
PNG
((S or R)-ethyl 3-((S)-4-((3-chloro- 1-ethyl-1H-pyr...)
Show SMILES CCOC(=O)[C@H](C)C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1cn(CC)nc1Cl
Show InChI InChI=1S/C24H30ClF3N4O7S/c1-6-31-13-19(20(25)30-31)40(35,36)32-12-16(10-14(3)21(33)37-7-2)38-18-9-8-15(11-17(18)32)29-22(34)39-23(4,5)24(26,27)28/h8-9,11,13-14,16H,6-7,10,12H2,1-5H3,(H,29,34)/t14-,16+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344464
PNG
((S)-3-(6-((((1,1,1-trifluoro- 2-methylpropan-2- yl...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CCC(O)=O)CN(c2c1)S(=O)(=O)c1cccc(OC(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C23H22F6N2O8S/c1-21(2,22(24,25)26)39-20(34)30-13-6-8-18-17(10-13)31(12-15(37-18)7-9-19(32)33)40(35,36)16-5-3-4-14(11-16)38-23(27,28)29/h3-6,8,10-11,15H,7,9,12H2,1-2H3,(H,30,34)(H,32,33)/t15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344472
PNG
((S)-3-(4-((3- bromophenyl)sulfonyl)-6- ((((1,1,1-t...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CCC(O)=O)CN(c2c1)S(=O)(=O)c1cccc(Br)c1)C(F)(F)F
Show InChI InChI=1S/C22H22BrF3N2O7S/c1-21(2,22(24,25)26)35-20(31)27-14-6-8-18-17(11-14)28(12-15(34-18)7-9-19(29)30)36(32,33)16-5-3-4-13(23)10-16/h3-6,8,10-11,15H,7,9,12H2,1-2H3,(H,27,31)(H,29,30)/t15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344428
PNG
((S)-3-((S)-4-((3-chloro-4-fluorophenyl)sulfonyl)-6...)
Show SMILES C[C@@H](C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H23ClF4N2O7S/c1-12(20(31)32)8-14-11-30(38(34,35)15-5-6-17(25)16(24)10-15)18-9-13(4-7-19(18)36-14)29-21(33)37-22(2,3)23(26,27)28/h4-7,9-10,12,14H,8,11H2,1-3H3,(H,29,33)(H,31,32)/t12-,14-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344442
PNG
(Preparation of (S)-3-(4-((4-fluoro-3-(trifluoromet...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CCC(O)=O)CN(c2c1)S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21F7N2O7S/c1-21(2,23(28,29)30)39-20(35)31-12-3-7-18-17(9-12)32(11-13(38-18)4-8-19(33)34)40(36,37)14-5-6-16(24)15(10-14)22(25,26)27/h3,5-7,9-10,13H,4,8,11H2,1-2H3,(H,31,35)(H,33,34)/t13-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344449
PNG
((S)-3-(4-((3-chloro-1-ethyl- 1H-pyrazol-4-yl)sulfo...)
Show SMILES CCn1cc(c(Cl)n1)S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C21H24ClF3N4O7S/c1-4-28-11-16(18(22)27-28)37(33,34)29-10-13(6-8-17(30)31)35-15-7-5-12(9-14(15)29)26-19(32)36-20(2,3)21(23,24)25/h5,7,9,11,13H,4,6,8,10H2,1-3H3,(H,26,32)(H,30,31)/t13-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344544
PNG
((S or R)-3-((S)-4-((4-fluoro- 3-methoxyphenyl)sulf...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)N1C[C@H](C[C@H](C)C(O)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C24H26F4N2O8S/c1-13(21(31)32)9-15-12-30(39(34,35)16-6-7-17(25)20(11-16)36-4)18-10-14(5-8-19(18)37-15)29-22(33)38-23(2,3)24(26,27)28/h5-8,10-11,13,15H,9,12H2,1-4H3,(H,29,33)(H,31,32)/t13-,15-/m0/s1
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n/an/a 6.08n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344477
PNG
((S)-5-((2-(2-carboxyethyl)- 6-((((1,1,1-trifluoro-...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CCC(O)=O)CN(c2c1)S(=O)(=O)c1c(Cl)nc2sccn12)C(F)(F)F
Show InChI InChI=1S/C21H20ClF3N4O7S2/c1-20(2,21(23,24)25)36-19(32)26-11-3-5-14-13(9-11)29(10-12(35-14)4-6-15(30)31)38(33,34)17-16(22)27-18-28(17)7-8-37-18/h3,5,7-9,12H,4,6,10H2,1-2H3,(H,26,32)(H,30,31)/t12-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344532
PNG
(3-(4-[(3-ethoxy-1-ethyl-1H- pyrazol-4-yl)sulfonyl]...)
Show SMILES CCOc1nn(CC)cc1S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C23H29F3N4O8S/c1-5-29-13-18(20(28-29)36-6-2)39(34,35)30-12-15(8-10-19(31)32)37-17-9-7-14(11-16(17)30)27-21(33)38-22(3,4)23(24,25)26/h7,9,11,13,15H,5-6,8,10,12H2,1-4H3,(H,27,33)(H,31,32)/t15-/m0/s1
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n/an/a 6.96n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344435
PNG
((R or S)-ethyl 3-((S)-4-((3-chloro- 1-ethyl-1H-pyr...)
Show SMILES CCOC(=O)[C@@H](C)C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1cn(CC)nc1Cl
Show InChI InChI=1S/C24H30ClF3N4O7S/c1-6-31-13-19(20(25)30-31)40(35,36)32-12-16(10-14(3)21(33)37-7-2)38-18-9-8-15(11-17(18)32)29-22(34)39-23(4,5)24(26,27)28/h8-9,11,13-14,16H,6-7,10,12H2,1-5H3,(H,29,34)/t14-,16-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344427
PNG
((R)-3-((S)-4-((3-chloro-4-fluorophenyl)sulfonyl)-6...)
Show SMILES C[C@H](C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H23ClF4N2O7S/c1-12(20(31)32)8-14-11-30(38(34,35)15-5-6-17(25)16(24)10-15)18-9-13(4-7-19(18)36-14)29-21(33)37-22(2,3)23(26,27)28/h4-7,9-10,12,14H,8,11H2,1-3H3,(H,29,33)(H,31,32)/t12-,14+/m1/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344427
PNG
((R)-3-((S)-4-((3-chloro-4-fluorophenyl)sulfonyl)-6...)
Show SMILES C[C@H](C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H23ClF4N2O7S/c1-12(20(31)32)8-14-11-30(38(34,35)15-5-6-17(25)16(24)10-15)18-9-13(4-7-19(18)36-14)29-21(33)37-22(2,3)23(26,27)28/h4-7,9-10,12,14H,8,11H2,1-3H3,(H,29,33)(H,31,32)/t12-,14+/m1/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344468
PNG
((S)-3-(4-(m-tolylsulfonyl)- 6-((((1,1,1-trifluoro-...)
Show SMILES Cc1cccc(c1)S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C23H25F3N2O7S/c1-14-5-4-6-17(11-14)36(32,33)28-13-16(8-10-20(29)30)34-19-9-7-15(12-18(19)28)27-21(31)35-22(2,3)23(24,25)26/h4-7,9,11-12,16H,8,10,13H2,1-3H3,(H,27,31)(H,29,30)/t16-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344438
PNG
((S)-ethyl 3-(4-((3-chloro-4- fluorophenyl)sulfonyl...)
Show SMILES CCOC(=O)CC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C24H25ClF4N2O7S/c1-4-36-21(32)10-6-15-13-31(39(34,35)16-7-8-18(26)17(25)12-16)19-11-14(5-9-20(19)37-15)30-22(33)38-23(2,3)24(27,28)29/h5,7-9,11-12,15H,4,6,10,13H2,1-3H3,(H,30,33)/t15-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344666
PNG
((1R,2S or 1R,2R or 1S,2S or 1S,2R)-2-((S)-4-((3-ch...)
Show SMILES CCn1cc(c(Cl)n1)S(=O)(=O)N1C[C@@H](Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12)[C@@H]1C[C@@H]1C(O)=O
Show InChI InChI=1S/C22H24ClF3N4O7S/c1-4-29-10-17(18(23)28-29)38(34,35)30-9-16(12-8-13(12)19(31)32)36-15-6-5-11(7-14(15)30)27-20(33)37-21(2,3)22(24,25)26/h5-7,10,12-13,16H,4,8-9H2,1-3H3,(H,27,33)(H,31,32)/t12-,13+,16-/m1/s1
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n/an/a 7.10n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344530
PNG
(3-[(2S)-4-[(3-cyclopropyl-4- fluorophenyl)sulfonyl...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CCC(O)=O)CN(c2c1)S(=O)(=O)c1ccc(F)c(c1)C1CC1)C(F)(F)F
Show InChI InChI=1S/C25H26F4N2O7S/c1-24(2,25(27,28)29)38-23(34)30-15-5-9-21-20(11-15)31(13-16(37-21)6-10-22(32)33)39(35,36)17-7-8-19(26)18(12-17)14-3-4-14/h5,7-9,11-12,14,16H,3-4,6,10,13H2,1-2H3,(H,30,34)(H,32,33)/t16-/m0/s1
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n/an/a 7.11n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344503
PNG
((S)-3-(4-((2-chloro-4- fluoro-5- methylphenyl)sulf...)
Show SMILES Cc1cc(c(Cl)cc1F)S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C23H23ClF4N2O7S/c1-12-8-19(15(24)10-16(12)25)38(34,35)30-11-14(5-7-20(31)32)36-18-6-4-13(9-17(18)30)29-21(33)37-22(2,3)23(26,27)28/h4,6,8-10,14H,5,7,11H2,1-3H3,(H,29,33)(H,31,32)/t14-/m0/s1
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n/an/a 7.31n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344554
PNG
((S or R)-2-methyl-3-((S)-6- ((((1,1,1-trifluoro-2-...)
Show SMILES C[C@H](C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1cncc(c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C23H23F6N3O7S/c1-12(19(33)34)6-15-11-32(40(36,37)16-7-13(9-30-10-16)22(24,25)26)17-8-14(4-5-18(17)38-15)31-20(35)39-21(2,3)23(27,28)29/h4-5,7-10,12,15H,6,11H2,1-3H3,(H,31,35)(H,33,34)/t12-,15+/m1/s1
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n/an/a 7.35n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344496
PNG
((S)-3-(4-((2,4-difluoro-5- methylphenyl)sulfonyl)-...)
Show SMILES Cc1cc(c(F)cc1F)S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C23H23F5N2O7S/c1-12-8-19(16(25)10-15(12)24)38(34,35)30-11-14(5-7-20(31)32)36-18-6-4-13(9-17(18)30)29-21(33)37-22(2,3)23(26,27)28/h4,6,8-10,14H,5,7,11H2,1-3H3,(H,29,33)(H,31,32)/t14-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344690
PNG
(3-[(2S)-4-[(3-ethoxy-1-ethyl- 1H-pyrazol-4-yl)sulf...)
Show SMILES CCOc1nn(CC)cc1S(=O)(=O)N1C[C@H](CCC(O)=O)Oc2c(F)cc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C23H28F4N4O8S/c1-5-30-12-17(20(29-30)37-6-2)40(35,36)31-11-14(7-8-18(32)33)38-19-15(24)9-13(10-16(19)31)28-21(34)39-22(3,4)23(25,26)27/h9-10,12,14H,5-8,11H2,1-4H3,(H,28,34)(H,32,33)/t14-/m0/s1
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n/an/a 7.92n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344550
PNG
((S or R)-3-((S)-4-((4-fluoro- 3-methylphenyl)sulfo...)
Show SMILES C[C@@H](C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(C)c1)C(O)=O
Show InChI InChI=1S/C24H26F4N2O7S/c1-13-10-17(6-7-18(13)25)38(34,35)30-12-16(9-14(2)21(31)32)36-20-8-5-15(11-19(20)30)29-22(33)37-23(3,4)24(26,27)28/h5-8,10-11,14,16H,9,12H2,1-4H3,(H,29,33)(H,31,32)/t14-,16-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM344431
PNG
((R and S)-ethyl 3-((S)-4-((4- fluoro-3- (trifluoro...)
Show SMILES CCOC(=O)[C@@H](C)C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F7N2O7S/c1-5-40-22(36)14(2)10-16-13-35(43(38,39)17-7-8-19(27)18(12-17)25(28,29)30)20-11-15(6-9-21(20)41-16)34-23(37)42-24(3,4)26(31,32)33/h6-9,11-12,14,16H,5,10,13H2,1-4H3,(H,34,37)/t14-,16-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...


US Patent US9783511 (2017)

More data for this
Ligand-Target Pair
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