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Patent code US10287272

Compile Data Set for Download or QSAR
Found 149 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))
BDBM385435
PNG
(4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CCC2(CCCO2)C1
Show InChI InChI=1S/C32H36ClN3O5/c33-25-4-1-3-23(19-5-6-19)27(25)30(38)36-26-17-22(29(37)35-15-14-32(18-35)13-2-16-41-32)11-12-24(26)28(34-36)20-7-9-21(10-8-20)31(39)40/h1,3-4,7,19,21-22H,2,5-6,8-18H2,(H,39,40)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385488
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES Cn1ncc2CN(Cc12)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H31ClF3N5O4/c1-39-25-16-40(15-20(25)14-37-39)28(42)19-9-10-21-24(13-19)41(38-27(21)17-5-7-18(8-6-17)30(44)45)29(43)26-22(3-2-4-23(26)33)31(11-12-31)32(34,35)36/h2-5,14,18-19H,6-13,15-16H2,1H3,(H,44,45)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385532
PNG
((1R,6S or 1S, 6R)-4- ((S or R)-1-(2-chloro- 6-(1- ...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CC[C@H]([C@@H](C)C1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H33ClF3N3O5/c1-16-12-17(6-8-20(16)29(41)42)26-21-9-7-18(27(39)37-14-19(15-37)43-2)13-24(21)38(36-26)28(40)25-22(4-3-5-23(25)32)30(10-11-30)31(33,34)35/h3-6,16,18-20H,7-15H2,1-2H3,(H,41,42)/t16-,18?,20+/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385479
PNG
((1R or S)-4-((6R or S)-1- (2-chloro-6-(1- (trifluo...)
Show SMILES CN(C)C1CN(CC1(F)F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H34ClF5N4O4/c1-40(2)24-15-41(16-31(24,34)35)27(43)19-10-11-20-23(14-19)42(39-26(20)17-6-8-18(9-7-17)29(45)46)28(44)25-21(4-3-5-22(25)33)30(12-13-30)32(36,37)38/h3-6,18-19,24H,7-16H2,1-2H3,(H,45,46)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385488
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES Cn1ncc2CN(Cc12)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H31ClF3N5O4/c1-39-25-16-40(15-20(25)14-37-39)28(42)19-9-10-21-24(13-19)41(38-27(21)17-5-7-18(8-6-17)30(44)45)29(43)26-22(3-2-4-23(26)33)31(11-12-31)32(34,35)36/h2-5,14,18-19H,6-13,15-16H2,1H3,(H,44,45)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385535
PNG
((1R,6S or 1S,6R)-4- ((S or R)-1-(2-chloro- 6-(1- (...)
Show SMILES C[C@H]1CC(=CC[C@H]1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CCC2(COC2)C1
Show InChI InChI=1S/C33H35ClF3N3O5/c1-18-13-19(5-7-21(18)30(43)44)27-22-8-6-20(28(41)39-12-11-31(15-39)16-45-17-31)14-25(22)40(38-27)29(42)26-23(3-2-4-24(26)34)32(9-10-32)33(35,36)37/h2-5,18,20-21H,6-17H2,1H3,(H,43,44)/t18-,20?,21+/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385479
PNG
((1R or S)-4-((6R or S)-1- (2-chloro-6-(1- (trifluo...)
Show SMILES CN(C)C1CN(CC1(F)F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H34ClF5N4O4/c1-40(2)24-15-41(16-31(24,34)35)27(43)19-10-11-20-23(14-19)42(39-26(20)17-6-8-18(9-7-17)29(45)46)28(44)25-21(4-3-5-22(25)33)30(12-13-30)32(36,37)38/h3-6,18-19,24H,7-16H2,1-2H3,(H,45,46)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385478
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES O[C@@H]1CN(C[C@@H]1F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C30H30ClF4N3O5/c31-20-3-1-2-19(29(10-11-29)30(33,34)35)24(20)27(41)38-22-12-17(26(40)37-13-21(32)23(39)14-37)8-9-18(22)25(36-38)15-4-6-16(7-5-15)28(42)43/h1-4,16-17,21,23,39H,5-14H2,(H,42,43)/t16?,17?,21-,23+/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385474
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CN(C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)c1ccccn1
Show InChI InChI=1S/C32H30ClF3N4O4/c1-39(25-7-2-3-16-37-25)28(41)20-12-13-21-24(17-20)40(38-27(21)18-8-10-19(11-9-18)30(43)44)29(42)26-22(5-4-6-23(26)33)31(14-15-31)32(34,35)36/h2-8,16,19-20H,9-15,17H2,1H3,(H,43,44)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385482
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES COC1(C)CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H33ClF3N3O5/c1-29(43-2)15-37(16-29)26(39)19-10-11-20-23(14-19)38(36-25(20)17-6-8-18(9-7-17)28(41)42)27(40)24-21(4-3-5-22(24)32)30(12-13-30)31(33,34)35/h3-6,18-19H,7-16H2,1-2H3,(H,41,42)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385481
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CN(C)[C@H]1CN(C[C@H]1F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H35ClF4N4O4/c1-39(2)25-16-40(15-23(25)34)28(42)19-10-11-20-24(14-19)41(38-27(20)17-6-8-18(9-7-17)30(44)45)29(43)26-21(4-3-5-22(26)33)31(12-13-31)32(35,36)37/h3-6,18-19,23,25H,7-16H2,1-2H3,(H,44,45)/t18?,19?,23-,25+/m1/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385434
PNG
(4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC2COCC2C1
Show InChI InChI=1S/C31H34ClN3O5/c32-25-3-1-2-23(17-4-5-17)27(25)30(37)35-26-12-20(29(36)34-13-21-15-40-16-22(21)14-34)10-11-24(26)28(33-35)18-6-8-19(9-7-18)31(38)39/h1-3,6,17,19-22H,4-5,7-16H2,(H,38,39)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385478
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES O[C@@H]1CN(C[C@@H]1F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C30H30ClF4N3O5/c31-20-3-1-2-19(29(10-11-29)30(33,34)35)24(20)27(41)38-22-12-17(26(40)37-13-21(32)23(39)14-37)8-9-18(22)25(36-38)15-4-6-16(7-5-15)28(42)43/h1-4,16-17,21,23,39H,5-14H2,(H,42,43)/t16?,17?,21-,23+/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385485
PNG
((R o rS)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H36ClF3N4O4/c1-38(2)21-12-15-39(17-21)28(41)20-10-11-22-25(16-20)40(37-27(22)18-6-8-19(9-7-18)30(43)44)29(42)26-23(4-3-5-24(26)33)31(13-14-31)32(34,35)36/h3-6,19-21H,7-17H2,1-2H3,(H,43,44)/t19?,20?,21-/m1/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385482
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES COC1(C)CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H33ClF3N3O5/c1-29(43-2)15-37(16-29)26(39)19-10-11-20-23(14-19)38(36-25(20)17-6-8-18(9-7-17)28(41)42)27(40)24-21(4-3-5-22(24)32)30(12-13-30)31(33,34)35/h3-6,18-19H,7-16H2,1-2H3,(H,41,42)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385504
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C29H29ClF3N3O5/c30-21-3-1-2-20(28(10-11-28)29(31,32)33)23(21)26(39)36-22-12-17(25(38)35-13-18(37)14-35)8-9-19(22)24(34-36)15-4-6-16(7-5-15)27(40)41/h1-4,16-18,37H,5-14H2,(H,40,41)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385530
PNG
((1R,2S or 1S,2R)-4- ((S or R)-1-(2-chloro- 6-(1- (...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=C[C@H](C)[C@@H](CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H33ClF3N3O5/c1-16-12-17(6-8-20(16)29(41)42)26-21-9-7-18(27(39)37-14-19(15-37)43-2)13-24(21)38(36-26)28(40)25-22(4-3-5-23(25)32)30(10-11-30)31(33,34)35/h3-5,12,16,18-20H,6-11,13-15H2,1-2H3,(H,41,42)/t16-,18?,20+/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385484
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CC2(C1)CCCO2
Show InChI InChI=1S/C32H33ClF3N3O5/c33-23-4-1-3-22(31(12-13-31)32(34,35)36)25(23)28(41)39-24-15-20(27(40)38-16-30(17-38)11-2-14-44-30)9-10-21(24)26(37-39)18-5-7-19(8-6-18)29(42)43/h1,3-5,19-20H,2,6-17H2,(H,42,43)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385491
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C30H31ClF3N3O5/c1-42-19-14-36(15-19)26(38)18-9-10-20-23(13-18)37(35-25(20)16-5-7-17(8-6-16)28(40)41)27(39)24-21(3-2-4-22(24)31)29(11-12-29)30(32,33)34/h2-5,17-19H,6-15H2,1H3,(H,40,41)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385483
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H35ClF4N4O4/c1-39(2)25-16-40(15-23(25)34)28(42)19-10-11-20-24(14-19)41(38-27(20)17-6-8-18(9-7-17)30(44)45)29(43)26-21(4-3-5-22(26)33)31(12-13-31)32(35,36)37/h3-6,18-19,23,25H,7-16H2,1-2H3,(H,44,45)/t18?,19?,23-,25-/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385512
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (difluorom...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(C)(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F
Show InChI InChI=1S/C31H34ClF2N3O5/c1-30(29(40)41)10-8-17(9-11-30)25-20-7-6-18(26(38)36-15-19(16-36)42-2)14-23(20)37(35-25)27(39)24-21(4-3-5-22(24)32)31(12-13-31)28(33)34/h3-5,8,18-19,28H,6-7,9-16H2,1-2H3,(H,40,41)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385512
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (difluorom...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(C)(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F
Show InChI InChI=1S/C31H34ClF2N3O5/c1-30(29(40)41)10-8-17(9-11-30)25-20-7-6-18(26(38)36-15-19(16-36)42-2)14-23(20)37(35-25)27(39)24-21(4-3-5-22(24)32)31(12-13-31)28(33)34/h3-5,8,18-19,28H,6-7,9-16H2,1-2H3,(H,40,41)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385456
PNG
(US10287272, Example 5A)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)OC(C)(C)C)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C34H39ClF3N3O5/c1-32(2,3)46-31(44)20-10-8-19(9-11-20)28-23-13-12-21(29(42)40-17-22(18-40)45-4)16-26(23)41(39-28)30(43)27-24(6-5-7-25(27)35)33(14-15-33)34(36,37)38/h5-8,20-22H,9-18H2,1-4H3
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385476
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CO[C@H]1CN(C[C@@H]1O)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H33ClF3N3O6/c1-44-24-15-37(14-23(24)39)27(40)18-9-10-19-22(13-18)38(36-26(19)16-5-7-17(8-6-16)29(42)43)28(41)25-20(3-2-4-21(25)32)30(11-12-30)31(33,34)35/h2-5,17-18,23-24,39H,6-15H2,1H3,(H,42,43)/t17?,18?,23-,24-/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385483
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H35ClF4N4O4/c1-39(2)25-16-40(15-23(25)34)28(42)19-10-11-20-24(14-19)41(38-27(20)17-6-8-18(9-7-17)30(44)45)29(43)26-21(4-3-5-22(26)33)31(12-13-31)32(35,36)37/h3-6,18-19,23,25H,7-16H2,1-2H3,(H,44,45)/t18?,19?,23-,25-/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385486
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (difluorom...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F
Show InChI InChI=1S/C30H32ClF2N3O5/c1-41-19-14-35(15-19)26(37)18-9-10-20-23(13-18)36(34-25(20)16-5-7-17(8-6-16)28(39)40)27(38)24-21(3-2-4-22(24)31)30(11-12-30)29(32)33/h2-5,17-19,29H,6-15H2,1H3,(H,39,40)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385490
PNG
(4-((R or S)-1-(2-chloro-6-(1- (trifluoromethyl)cyc...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CC[C@H](C1)C#N
Show InChI InChI=1S/C31H30ClF3N4O4/c32-23-3-1-2-22(30(11-12-30)31(33,34)35)25(23)28(41)39-24-14-20(27(40)38-13-10-17(15-36)16-38)8-9-21(24)26(37-39)18-4-6-19(7-5-18)29(42)43/h1-4,17,19-20H,5-14,16H2,(H,42,43)/t17-,19?,20?/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385484
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CC2(C1)CCCO2
Show InChI InChI=1S/C32H33ClF3N3O5/c33-23-4-1-3-22(31(12-13-31)32(34,35)36)25(23)28(41)39-24-15-20(27(40)38-16-30(17-38)11-2-14-44-30)9-10-21(24)26(37-39)18-5-7-19(8-6-18)29(42)43/h1,3-5,19-20H,2,6-17H2,(H,42,43)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385486
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (difluorom...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F
Show InChI InChI=1S/C30H32ClF2N3O5/c1-41-19-14-35(15-19)26(37)18-9-10-20-23(13-18)36(34-25(20)16-5-7-17(8-6-16)28(39)40)27(38)24-21(3-2-4-22(24)31)30(11-12-30)29(32)33/h2-5,17-19,29H,6-15H2,1H3,(H,39,40)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385477
PNG
((R or S)-4-((R or 5)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1O)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H36ClF3N4O5/c1-38(2)24-15-39(16-25(24)41)28(42)19-10-11-20-23(14-19)40(37-27(20)17-6-8-18(9-7-17)30(44)45)29(43)26-21(4-3-5-22(26)33)31(12-13-31)32(34,35)36/h3-6,18-19,24-25,41H,7-16H2,1-2H3,(H,44,45)/t18?,19?,24-,25-/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385393
PNG
(4-((R or S)-6-(azetidine- 1-carbonyl)-1-(2- chloro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CCC1
Show InChI InChI=1S/C28H30ClN3O4/c29-22-4-1-3-20(16-5-6-16)24(22)27(34)32-23-15-19(26(33)31-13-2-14-31)11-12-21(23)25(30-32)17-7-9-18(10-8-17)28(35)36/h1,3-4,7,16,18-19H,2,5-6,8-15H2,(H,35,36)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385401
PNG
(4-((R or S)-6-(3-(1H- pyrazol-1-yl)azetidine- 1-ca...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(C1)n1cccn1
Show InChI InChI=1S/C31H32ClN5O4/c32-25-4-1-3-23(18-5-6-18)27(25)30(39)37-26-15-21(29(38)35-16-22(17-35)36-14-2-13-33-36)11-12-24(26)28(34-37)19-7-9-20(10-8-19)31(40)41/h1-4,7,13-14,18,20-22H,5-6,8-12,15-17H2,(H,40,41)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385441
PNG
(4-{(6R or S)-1-[(2- chloro-6- cyclopropylphenyl) c...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC2(C1)CN(C2)c1ncccn1
Show InChI InChI=1S/C34H35ClN6O4/c35-26-4-1-3-24(20-5-6-20)28(26)31(43)41-27-15-23(11-12-25(27)29(38-41)21-7-9-22(10-8-21)32(44)45)30(42)39-16-34(17-39)18-40(19-34)33-36-13-2-14-37-33/h1-4,7,13-14,20,22-23H,5-6,8-12,15-19H2,(H,44,45)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385511
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(C)(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H33ClF3N3O5/c1-29(28(41)42)10-8-17(9-11-29)25-20-7-6-18(26(39)37-15-19(16-37)43-2)14-23(20)38(36-25)27(40)24-21(4-3-5-22(24)32)30(12-13-30)31(33,34)35/h3-5,8,18-19H,6-7,9-16H2,1-2H3,(H,41,42)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385530
PNG
((1R,2S or 1S,2R)-4- ((S or R)-1-(2-chloro- 6-(1- (...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=C[C@H](C)[C@@H](CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H33ClF3N3O5/c1-16-12-17(6-8-20(16)29(41)42)26-21-9-7-18(27(39)37-14-19(15-37)43-2)13-24(21)38(36-26)28(40)25-22(4-3-5-23(25)32)30(10-11-30)31(33,34)35/h3-5,12,16,18-20H,6-11,13-15H2,1-2H3,(H,41,42)/t16-,18?,20+/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385536
PNG
((1R,6S or 1S,6R)-4- ((S or R)-1-(2-chloro- 6-(1- (...)
Show SMILES C[C@H]1CC(=CC[C@H]1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CCC(O)CC1
Show InChI InChI=1S/C32H35ClF3N3O5/c1-17-15-18(5-7-21(17)30(43)44)27-22-8-6-19(28(41)38-13-9-20(40)10-14-38)16-25(22)39(37-27)29(42)26-23(3-2-4-24(26)33)31(11-12-31)32(34,35)36/h2-5,17,19-21,40H,6-16H2,1H3,(H,43,44)/t17-,19?,21+/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385391
PNG
(US10287272, Example 1B)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C29H32ClN3O5/c1-38-20-14-32(15-20)27(34)19-11-12-22-24(13-19)33(31-26(22)17-7-9-18(10-8-17)29(36)37)28(35)25-21(16-5-6-16)3-2-4-23(25)30/h2-4,7,16,18-20H,5-6,8-15H2,1H3,(H,36,37)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385452
PNG
(4-((R or S)-1-(2- chloro-6-cyclopropyl- 3-fluorobe...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)c(F)ccc2C2CC2)c2CC(CCc12)C(=O)N1CC2(C1)CCOC2
Show InChI InChI=1S/C31H33ClFN3O5/c32-26-23(33)10-9-21(17-1-2-17)25(26)29(38)36-24-13-20(28(37)35-14-31(15-35)11-12-41-16-31)7-8-22(24)27(34-36)18-3-5-19(6-4-18)30(39)40/h3,9-10,17,19-20H,1-2,4-8,11-16H2,(H,39,40)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385508
PNG
(4-((R or S)-1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CC(C1)N1CC(F)C1
Show InChI InChI=1S/C32H33ClF4N4O4/c33-24-3-1-2-23(31(10-11-31)32(35,36)37)26(24)29(43)41-25-12-19(28(42)40-15-21(16-40)39-13-20(34)14-39)8-9-22(25)27(38-41)17-4-6-18(7-5-17)30(44)45/h1-4,18-21H,5-16H2,(H,44,45)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385534
PNG
((1R,2S or 1S,2R)-4- ((S or R)-1-(2-chloro- 6-(1- (...)
Show SMILES C[C@H]1C=C(CC[C@H]1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CC(O)C1
Show InChI InChI=1S/C30H31ClF3N3O5/c1-15-11-16(5-7-19(15)28(41)42)25-20-8-6-17(26(39)36-13-18(38)14-36)12-23(20)37(35-25)27(40)24-21(3-2-4-22(24)31)29(9-10-29)30(32,33)34/h2-4,11,15,17-19,38H,5-10,12-14H2,1H3,(H,41,42)/t15-,17?,19+/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385415
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC2(C1)CCCO2
Show InChI InChI=1S/C31H34ClN3O5/c32-24-4-1-3-22(18-5-6-18)26(24)29(37)35-25-15-21(28(36)34-16-31(17-34)13-2-14-40-31)11-12-23(25)27(33-35)19-7-9-20(10-8-19)30(38)39/h1,3-4,7,18,20-21H,2,5-6,8-17H2,(H,38,39)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385433
PNG
(4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CCC2(CCOC2)C1
Show InChI InChI=1S/C32H36ClN3O5/c33-25-3-1-2-23(19-4-5-19)27(25)30(38)36-26-16-22(29(37)35-14-12-32(17-35)13-15-41-18-32)10-11-24(26)28(34-36)20-6-8-21(9-7-20)31(39)40/h1-3,6,19,21-22H,4-5,7-18H2,(H,39,40)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385454
PNG
(4-((R or S)-1-(2- chloro-6-cyclopropyl- 3-fluorobe...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)c(F)ccc1C1CC1
Show InChI InChI=1S/C29H31ClFN3O5/c1-39-19-13-33(14-19)27(35)18-8-9-21-23(12-18)34(32-26(21)16-4-6-17(7-5-16)29(37)38)28(36)24-20(15-2-3-15)10-11-22(31)25(24)30/h4,10-11,15,17-19H,2-3,5-9,12-14H2,1H3,(H,37,38)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385481
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CN(C)[C@H]1CN(C[C@H]1F)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H35ClF4N4O4/c1-39(2)25-16-40(15-23(25)34)28(42)19-10-11-20-24(14-19)41(38-27(20)17-6-8-18(9-7-17)30(44)45)29(43)26-21(4-3-5-22(26)33)31(12-13-31)32(35,36)37/h3-6,18-19,23,25H,7-16H2,1-2H3,(H,44,45)/t18?,19?,23-,25+/m1/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385507
PNG
(4-((R or S)-1-(2- chloro-6-(1- (difluoromethyl)cyc...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)F)c2CC(CCc12)C(=O)N1CCC2(COC2)C1
Show InChI InChI=1S/C32H34ClF2N3O5/c33-23-3-1-2-22(32(10-11-32)30(34)35)25(23)28(40)38-24-14-20(27(39)37-13-12-31(15-37)16-43-17-31)8-9-21(24)26(36-38)18-4-6-19(7-5-18)29(41)42/h1-4,19-20,30H,5-17H2,(H,41,42)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385529
PNG
(US10287272, Example 17A)
Show SMILES C[C@H]1C=C(CC[C@H]1C(O)=O)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CC(C)(O)C1
Show InChI InChI=1S/C31H33ClF3N3O5/c1-16-12-17(6-8-19(16)28(41)42)25-20-9-7-18(26(39)37-14-29(2,43)15-37)13-23(20)38(36-25)27(40)24-21(4-3-5-22(24)32)30(10-11-30)31(33,34)35/h3-5,12,16,18-19,43H,6-11,13-15H2,1-2H3,(H,41,42)/t16-,18?,19+/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385532
PNG
((1R,6S or 1S, 6R)-4- ((S or R)-1-(2-chloro- 6-(1- ...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CC[C@H]([C@@H](C)C1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H33ClF3N3O5/c1-16-12-17(6-8-20(16)29(41)42)26-21-9-7-18(27(39)37-14-19(15-37)43-2)13-24(21)38(36-26)28(40)25-22(4-3-5-23(25)32)30(10-11-30)31(33,34)35/h3-6,16,18-20H,7-15H2,1-2H3,(H,41,42)/t16-,18?,20+/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385404
PNG
(4-((R or S)-6-(3-(4H- 1,2,4-triazol-3- yl)azetidin...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(C1)c1nnc[nH]1
Show InChI InChI=1/C30H31ClN6O4/c31-23-3-1-2-21(16-4-5-16)25(23)29(39)37-24-12-19(28(38)36-13-20(14-36)27-32-15-33-34-27)10-11-22(24)26(35-37)17-6-8-18(9-7-17)30(40)41/h1-3,6,15-16,18-20H,4-5,7-14H2,(H,40,41)(H,32,33,34)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385511
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(C)(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H33ClF3N3O5/c1-29(28(41)42)10-8-17(9-11-29)25-20-7-6-18(26(39)37-15-19(16-37)43-2)14-23(20)38(36-25)27(40)24-21(4-3-5-22(24)32)30(12-13-30)31(33,34)35/h3-5,8,18-19H,6-7,9-16H2,1-2H3,(H,41,42)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385392
PNG
(US10287272, Example 2A)
Show SMILES COC(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)OC(C)(C)C)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H35ClN2O5/c1-30(2,3)38-29(36)19-12-10-18(11-13-19)26-22-15-14-20(28(35)37-4)16-24(22)33(32-26)27(34)25-21(17-8-9-17)6-5-7-23(25)31/h5-7,10,17,19-20H,8-9,11-16H2,1-4H3
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385426
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES CO[C@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H34ClN3O5/c1-39-21-13-14-33(16-21)28(35)20-11-12-23-25(15-20)34(32-27(23)18-7-9-19(10-8-18)30(37)38)29(36)26-22(17-5-6-17)3-2-4-24(26)31/h2-4,7,17,19-21H,5-6,8-16H2,1H3,(H,37,38)/t19?,20?,21-/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385489
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CCC2(COC2)C1
Show InChI InChI=1S/C32H33ClF3N3O5/c33-23-3-1-2-22(31(10-11-31)32(34,35)36)25(23)28(41)39-24-14-20(27(40)38-13-12-30(15-38)16-44-17-30)8-9-21(24)26(37-39)18-4-6-19(7-5-18)29(42)43/h1-4,19-20H,5-17H2,(H,42,43)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385400
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES COC1(C)CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H34ClN3O5/c1-30(39-2)15-33(16-30)27(35)20-12-13-22-24(14-20)34(32-26(22)18-8-10-19(11-9-18)29(37)38)28(36)25-21(17-6-7-17)4-3-5-23(25)31/h3-5,8,17,19-20H,6-7,9-16H2,1-2H3,(H,37,38)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385403
PNG
(4-((R or S)-6-(3-(4H- 1,2,4-triazol-4- yl)azetidin...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(C1)n1cnnc1
Show InChI InChI=1S/C30H31ClN6O4/c31-24-3-1-2-22(17-4-5-17)26(24)29(39)37-25-12-20(28(38)35-13-21(14-35)36-15-32-33-16-36)10-11-23(25)27(34-37)18-6-8-19(9-7-18)30(40)41/h1-3,6,15-17,19-21H,4-5,7-14H2,(H,40,41)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385432
PNG
(4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CCC2(CCO2)C1
Show InChI InChI=1S/C31H34ClN3O5/c32-24-3-1-2-22(18-4-5-18)26(24)29(37)35-25-16-21(28(36)34-14-12-31(17-34)13-15-40-31)10-11-23(25)27(33-35)19-6-8-20(9-7-19)30(38)39/h1-3,6,18,20-21H,4-5,7-17H2,(H,38,39)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385485
PNG
((R o rS)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H36ClF3N4O4/c1-38(2)21-12-15-39(17-21)28(41)20-10-11-22-25(16-20)40(37-27(22)18-6-8-19(9-7-18)30(43)44)29(42)26-23(4-3-5-24(26)33)31(13-14-31)32(34,35)36/h3-6,19-21H,7-17H2,1-2H3,(H,43,44)/t19?,20?,21-/m1/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385509
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CC1(CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CC2(C1)CCCO2)C(O)=O
Show InChI InChI=1S/C33H35ClF3N3O5/c1-30(29(43)44)11-8-19(9-12-30)26-21-7-6-20(27(41)39-17-31(18-39)10-3-15-45-31)16-24(21)40(38-26)28(42)25-22(4-2-5-23(25)34)32(13-14-32)33(35,36)37/h2,4-5,8,20H,3,6-7,9-18H2,1H3,(H,43,44)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385475
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)Nc1ccccn1
Show InChI InChI=1S/C31H28ClF3N4O4/c32-22-5-3-4-21(30(13-14-30)31(33,34)35)25(22)28(41)39-23-16-19(27(40)37-24-6-1-2-15-36-24)11-12-20(23)26(38-39)17-7-9-18(10-8-17)29(42)43/h1-7,15,18-19H,8-14,16H2,(H,42,43)(H,36,37,40)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385505
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CC1(O)CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C30H31ClF3N3O5/c1-28(42)14-36(15-28)25(38)18-9-10-19-22(13-18)37(35-24(19)16-5-7-17(8-6-16)27(40)41)26(39)23-20(3-2-4-21(23)31)29(11-12-29)30(32,33)34/h2-5,17-18,42H,6-15H2,1H3,(H,40,41)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385509
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CC1(CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CC2(C1)CCCO2)C(O)=O
Show InChI InChI=1S/C33H35ClF3N3O5/c1-30(29(43)44)11-8-19(9-12-30)26-21-7-6-20(27(41)39-17-31(18-39)10-3-15-45-31)16-24(21)40(38-26)28(42)25-22(4-2-5-23(25)34)32(13-14-32)33(35,36)37/h2,4-5,8,20H,3,6-7,9-18H2,1H3,(H,43,44)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385527
PNG
(US10287272, Example 15A | US10287272, Example 16A)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)OC(C)(C)C)C(=O)c1c(Cl)cccc1C1(F)CCC1
Show InChI InChI=1S/C34H41ClFN3O5/c1-33(2,3)44-32(42)21-11-9-20(10-12-21)29-24-14-13-22(30(40)38-18-23(19-38)43-4)17-27(24)39(37-29)31(41)28-25(7-5-8-26(28)35)34(36)15-6-16-34/h5,7-9,21-23H,6,10-19H2,1-4H3
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385489
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CCC2(COC2)C1
Show InChI InChI=1S/C32H33ClF3N3O5/c33-23-3-1-2-22(31(10-11-31)32(34,35)36)25(23)28(41)39-24-14-20(27(40)38-13-12-30(15-38)16-44-17-30)8-9-21(24)26(37-39)18-4-6-19(7-5-18)29(42)43/h1-4,19-20H,5-17H2,(H,42,43)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385510
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(C)(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C33H38ClF3N4O4/c1-31(30(44)45)12-9-19(10-13-31)27-22-8-7-20(28(42)40-16-11-21(18-40)39(2)3)17-25(22)41(38-27)29(43)26-23(5-4-6-24(26)34)32(14-15-32)33(35,36)37/h4-6,9,20-21H,7-8,10-18H2,1-3H3,(H,44,45)/t20?,21-,31?/m1/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385431
PNG
(4-((R or S)-2-chloro- 6-cyclopropylbenzoyl)- 6-(6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC2(C1)CCOC2
Show InChI InChI=1S/C31H34ClN3O5/c32-24-3-1-2-22(18-4-5-18)26(24)29(37)35-25-14-21(28(36)34-15-31(16-34)12-13-40-17-31)10-11-23(25)27(33-35)19-6-8-20(9-7-19)30(38)39/h1-3,6,18,20-21H,4-5,7-17H2,(H,38,39)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385437
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CCC2(COC2)C1
Show InChI InChI=1S/C31H34ClN3O5/c32-24-3-1-2-22(18-4-5-18)26(24)29(37)35-25-14-21(28(36)34-13-12-31(15-34)16-40-17-31)10-11-23(25)27(33-35)19-6-8-20(9-7-19)30(38)39/h1-3,6,18,20-21H,4-5,7-17H2,(H,38,39)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385430
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C31H37ClN4O4/c1-34(2)22-14-15-35(17-22)29(37)21-12-13-24-26(16-21)36(33-28(24)19-8-10-20(11-9-19)31(39)40)30(38)27-23(18-6-7-18)4-3-5-25(27)32/h3-5,8,18,20-22H,6-7,9-17H2,1-2H3,(H,39,40)/t20?,21?,22-/m1/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385395
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(F)(F)C1
Show InChI InChI=1S/C28H28ClF2N3O4/c29-21-3-1-2-19(15-4-5-15)23(21)26(36)34-22-12-18(25(35)33-13-28(30,31)14-33)10-11-20(22)24(32-34)16-6-8-17(9-7-16)27(37)38/h1-3,6,15,17-18H,4-5,7-14H2,(H,37,38)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385396
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C28H30ClN3O5/c29-22-3-1-2-20(15-4-5-15)24(22)27(35)32-23-12-18(26(34)31-13-19(33)14-31)10-11-21(23)25(30-32)16-6-8-17(9-7-16)28(36)37/h1-3,6,15,17-19,33H,4-5,7-14H2,(H,36,37)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385519
PNG
(US10287272, Example 11A | US10287272, Example 12A)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)OC(C)(C)C)C(=O)c1c(Cl)cccc1C1(F)CCC1
Show InChI InChI=1S/C36H46ClFN4O4/c1-35(2,3)46-34(45)23-12-10-22(11-13-23)31-26-15-14-24(32(43)41-19-16-25(21-41)40(4)5)20-29(26)42(39-31)33(44)30-27(8-6-9-28(30)37)36(38)17-7-18-36/h6,8-10,23-25H,7,11-21H2,1-5H3/t23?,24?,25-/m1/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385471
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)Nc1ccn(CC(F)(F)F)n1
Show InChI InChI=1S/C31H28ClF6N5O4/c32-21-3-1-2-20(29(11-12-29)31(36,37)38)24(21)27(45)43-22-14-18(26(44)39-23-10-13-42(40-23)15-30(33,34)35)8-9-19(22)25(41-43)16-4-6-17(7-5-16)28(46)47/h1-4,10,13,17-18H,5-9,11-12,14-15H2,(H,46,47)(H,39,40,44)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385394
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(F)C1
Show InChI InChI=1S/C28H29ClFN3O4/c29-22-3-1-2-20(15-4-5-15)24(22)27(35)33-23-12-18(26(34)32-13-19(30)14-32)10-11-21(23)25(31-33)16-6-8-17(9-7-16)28(36)37/h1-3,6,15,17-19H,4-5,7-14H2,(H,36,37)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385414
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC2(CCO2)C1
Show InChI InChI=1S/C30H32ClN3O5/c31-23-3-1-2-21(17-4-5-17)25(23)28(36)34-24-14-20(27(35)33-15-30(16-33)12-13-39-30)10-11-22(24)26(32-34)18-6-8-19(9-7-18)29(37)38/h1-3,6,17,19-20H,4-5,7-16H2,(H,37,38)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385412
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(F)(C1)C#N
Show InChI InChI=1S/C29H28ClFN4O4/c30-22-3-1-2-20(16-4-5-16)24(22)27(37)35-23-12-19(26(36)34-14-29(31,13-32)15-34)10-11-21(23)25(33-35)17-6-8-18(9-7-17)28(38)39/h1-3,6,16,18-19H,4-5,7-12,14-15H2,(H,38,39)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385442
PNG
(4-{(6R or S)-6-{[6- (tert-butoxycarbonyl)- 2,6-dia...)
Show SMILES CC(C)(C)OC(=O)N1CC2(C1)CN(C2)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C35H41ClN4O6/c1-34(2,3)46-33(45)39-18-35(19-39)16-38(17-35)30(41)23-13-14-25-27(15-23)40(37-29(25)21-9-11-22(12-10-21)32(43)44)31(42)28-24(20-7-8-20)5-4-6-26(28)36/h4-6,9,20,22-23H,7-8,10-19H2,1-3H3,(H,43,44)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385411
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(C1)C(F)F
Show InChI InChI=1S/C29H30ClF2N3O4/c30-22-3-1-2-20(15-4-5-15)24(22)28(37)35-23-12-18(27(36)34-13-19(14-34)26(31)32)10-11-21(23)25(33-35)16-6-8-17(9-7-16)29(38)39/h1-3,6,15,17-19,26H,4-5,7-14H2,(H,38,39)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385455
PNG
(4-((R or S)-1-(2- chloro-6-cyclopropyl- 3-fluorobe...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)c(F)ccc2C2CC2)c2CC(CCc12)C(=O)N1CC2(C1)CCCO2
Show InChI InChI=1S/C31H33ClFN3O5/c32-26-23(33)11-10-21(17-2-3-17)25(26)29(38)36-24-14-20(28(37)35-15-31(16-35)12-1-13-41-31)8-9-22(24)27(34-36)18-4-6-19(7-5-18)30(39)40/h4,10-11,17,19-20H,1-3,5-9,12-16H2,(H,39,40)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385444
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES CN1CCN(CC1=O)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H33ClN4O5/c1-33-13-14-34(16-25(33)36)28(37)20-11-12-22-24(15-20)35(32-27(22)18-7-9-19(10-8-18)30(39)40)29(38)26-21(17-5-6-17)3-2-4-23(26)31/h2-4,7,17,19-20H,5-6,8-16H2,1H3,(H,39,40)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385399
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES CC1(O)CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C29H32ClN3O5/c1-29(38)14-32(15-29)26(34)19-11-12-21-23(13-19)33(31-25(21)17-7-9-18(10-8-17)28(36)37)27(35)24-20(16-5-6-16)3-2-4-22(24)30/h2-4,7,16,18-19,38H,5-6,8-15H2,1H3,(H,36,37)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385450
PNG
(4-((R or S)-1-(2- chloro-6-cyclopropyl- 3-fluorobe...)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(ccc(F)c1Cl)C1CC1
Show InChI InChI=1S/C31H36ClFN4O4/c1-35(2)21-13-14-36(16-21)29(38)20-9-10-23-25(15-20)37(34-28(23)18-5-7-19(8-6-18)31(40)41)30(39)26-22(17-3-4-17)11-12-24(33)27(26)32/h5,11-12,17,19-21H,3-4,6-10,13-16H2,1-2H3,(H,40,41)/t19?,20?,21-/m1/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385480
PNG
((R or S)-4-((6R or S)-6- (3-(azetidin-1- yl)pyrrol...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CCC(C1)N1CCC1
Show InChI InChI=1S/C33H36ClF3N4O4/c34-25-4-1-3-24(32(12-13-32)33(35,36)37)27(25)30(43)41-26-17-21(29(42)40-16-11-22(18-40)39-14-2-15-39)9-10-23(26)28(38-41)19-5-7-20(8-6-19)31(44)45/h1,3-5,20-22H,2,6-18H2,(H,44,45)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385487
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CN(Cc1cnn(C)c1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H33ClF3N5O4/c1-39(16-18-15-37-40(2)17-18)28(42)21-10-11-22-25(14-21)41(38-27(22)19-6-8-20(9-7-19)30(44)45)29(43)26-23(4-3-5-24(26)33)31(12-13-31)32(34,35)36/h3-6,15,17,20-21H,7-14,16H2,1-2H3,(H,44,45)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385402
PNG
(4-((R or S)-6-(3-(1H- imidazol-1-yl)azetidine- 1-c...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(C1)n1ccnc1
Show InChI InChI=1S/C31H32ClN5O4/c32-25-3-1-2-23(18-4-5-18)27(25)30(39)37-26-14-21(29(38)36-15-22(16-36)35-13-12-33-17-35)10-11-24(26)28(34-37)19-6-8-20(9-7-19)31(40)41/h1-3,6,12-13,17-18,20-22H,4-5,7-11,14-16H2,(H,40,41)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385502
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CN(Cc1cnccn1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H31ClF3N5O4/c1-40(17-21-16-37-13-14-38-21)28(42)20-9-10-22-25(15-20)41(39-27(22)18-5-7-19(8-6-18)30(44)45)29(43)26-23(3-2-4-24(26)33)31(11-12-31)32(34,35)36/h2-5,13-14,16,19-20H,6-12,15,17H2,1H3,(H,44,45)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385487
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CN(Cc1cnn(C)c1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H33ClF3N5O4/c1-39(16-18-15-37-40(2)17-18)28(42)21-10-11-22-25(14-21)41(38-27(22)19-6-8-20(9-7-19)30(44)45)29(43)26-23(4-3-5-24(26)33)31(12-13-31)32(34,35)36/h3-6,15,17,20-21H,7-14,16H2,1-2H3,(H,44,45)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385425
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES CO[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H34ClN3O5/c1-39-21-13-14-33(16-21)28(35)20-11-12-23-25(15-20)34(32-27(23)18-7-9-19(10-8-18)30(37)38)29(36)26-22(17-5-6-17)3-2-4-24(26)31/h2-4,7,17,19-21H,5-6,8-16H2,1H3,(H,37,38)/t19?,20?,21-/m1/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385473
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)Nc1ncccc1F
Show InChI InChI=1S/C31H27ClF4N4O4/c32-21-4-1-3-20(30(12-13-30)31(34,35)36)24(21)28(42)40-23-15-18(27(41)38-26-22(33)5-2-14-37-26)10-11-19(23)25(39-40)16-6-8-17(9-7-16)29(43)44/h1-6,14,17-18H,7-13,15H2,(H,43,44)(H,37,38,41)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385451
PNG
(4-((R or S)-1-(2- chloro-6-cyclopropyl- 3-fluorobe...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)c(F)ccc2C2CC2)c2CC(CCc12)C(=O)N1CC(C1)N1CC(F)C1
Show InChI InChI=1S/C31H33ClF2N4O4/c32-27-24(34)10-9-22(16-1-2-16)26(27)30(40)38-25-11-19(29(39)37-14-21(15-37)36-12-20(33)13-36)7-8-23(25)28(35-38)17-3-5-18(6-4-17)31(41)42/h3,9-10,16,18-21H,1-2,4-8,11-15H2,(H,41,42)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385462
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N[C@H]1CNC[C@@H]1F
Show InChI InChI=1S/C30H31ClF4N4O4/c31-20-3-1-2-19(29(10-11-29)30(33,34)35)24(20)27(41)39-23-12-17(26(40)37-22-14-36-13-21(22)32)8-9-18(23)25(38-39)15-4-6-16(7-5-15)28(42)43/h1-4,16-17,21-22,36H,5-14H2,(H,37,40)(H,42,43)/t16?,17?,21-,22-/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385445
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES CS(=O)(=O)C1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C29H32ClN3O6S/c1-40(38,39)20-14-32(15-20)27(34)19-11-12-22-24(13-19)33(31-26(22)17-7-9-18(10-8-17)29(36)37)28(35)25-21(16-5-6-16)3-2-4-23(25)30/h2-4,7,16,18-20H,5-6,8-15H2,1H3,(H,36,37)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385439
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1C[C@@H]2COC[C@@H]2C1
Show InChI InChI=1S/C31H34ClN3O5/c32-25-3-1-2-23(17-4-5-17)27(25)30(37)35-26-12-20(29(36)34-13-21-15-40-16-22(21)14-34)10-11-24(26)28(33-35)18-6-8-19(9-7-18)31(38)39/h1-3,6,17,19-22H,4-5,7-16H2,(H,38,39)/t19?,20?,21-,22+
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385470
PNG
((1R or S)-4-((6R or S)-1- (2-chloro-6-(1- (trifluo...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)NC1CC1(F)F
Show InChI InChI=1S/C29H27ClF5N3O4/c30-19-3-1-2-18(27(10-11-27)29(33,34)35)22(19)25(40)38-20-12-16(24(39)36-21-13-28(21,31)32)8-9-17(20)23(37-38)14-4-6-15(7-5-14)26(41)42/h1-4,15-16,21H,5-13H2,(H,36,39)(H,41,42)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385480
PNG
((R or S)-4-((6R or S)-6- (3-(azetidin-1- yl)pyrrol...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CCC(C1)N1CCC1
Show InChI InChI=1S/C33H36ClF3N4O4/c34-25-4-1-3-24(32(12-13-32)33(35,36)37)27(25)30(43)41-26-17-21(29(42)40-16-11-22(18-40)39-14-2-15-39)9-10-23(26)28(38-41)19-5-7-20(8-6-19)31(44)45/h1,3-5,20-22H,2,6-18H2,(H,44,45)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385397
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(O)(C1)C1CC1
Show InChI InChI=1S/C31H34ClN3O5/c32-24-3-1-2-22(17-4-5-17)26(24)29(37)35-25-14-20(28(36)34-15-31(40,16-34)21-11-12-21)10-13-23(25)27(33-35)18-6-8-19(9-7-18)30(38)39/h1-3,6,17,19-21,40H,4-5,7-16H2,(H,38,39)
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n/an/a 5n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385440
PNG
(4-[(6R or S)-1-[(2- chloro-6- cyclopropylphenyl) c...)
Show SMILES CC(C)N1CC2(C1)CN(C2)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C33H39ClN4O4/c1-19(2)36-15-33(16-36)17-37(18-33)30(39)23-12-13-25-27(14-23)38(35-29(25)21-8-10-22(11-9-21)32(41)42)31(40)28-24(20-6-7-20)4-3-5-26(28)34/h3-5,8,19-20,22-23H,6-7,9-18H2,1-2H3,(H,41,42)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385461
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N[C@@H]1CNC[C@@H]1F
Show InChI InChI=1S/C30H31ClF4N4O4/c31-20-3-1-2-19(29(10-11-29)30(33,34)35)24(20)27(41)39-23-12-17(26(40)37-22-14-36-13-21(22)32)8-9-18(23)25(38-39)15-4-6-16(7-5-15)28(42)43/h1-4,16-17,21-22,36H,5-14H2,(H,37,40)(H,42,43)/t16?,17?,21-,22+/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385464
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N[C@H]1COC[C@@H]1F
Show InChI InChI=1S/C30H30ClF4N3O5/c31-20-3-1-2-19(29(10-11-29)30(33,34)35)24(20)27(40)38-23-12-17(26(39)36-22-14-43-13-21(22)32)8-9-18(23)25(37-38)15-4-6-16(7-5-15)28(41)42/h1-4,16-17,21-22H,5-14H2,(H,36,39)(H,41,42)/t16?,17?,21-,22-/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385510
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(C)(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C33H38ClF3N4O4/c1-31(30(44)45)12-9-19(10-13-31)27-22-8-7-20(28(42)40-16-11-21(18-40)39(2)3)17-25(22)41(38-27)29(43)26-23(5-4-6-24(26)34)32(14-15-32)33(35,36)37/h4-6,9,20-21H,7-8,10-18H2,1-3H3,(H,44,45)/t20?,21-,31?/m1/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385453
PNG
(4-((6R or S)-1-(2- chloro-6-cyclopropyl- 3-fluorob...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)c(F)ccc2C2CC2)c2CC(CCc12)C(=O)N1CCC2(CCN2)C1
Show InChI InChI=1S/C31H34ClFN4O4/c32-26-23(33)10-9-21(17-1-2-17)25(26)29(39)37-24-15-20(28(38)36-14-12-31(16-36)11-13-34-31)7-8-22(24)27(35-37)18-3-5-19(6-4-18)30(40)41/h3,9-10,17,19-20,34H,1-2,4-8,11-16H2,(H,40,41)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385436
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(C1)N1CC(F)C1
Show InChI InChI=1S/C31H34ClFN4O4/c32-25-3-1-2-23(17-4-5-17)27(25)30(39)37-26-12-20(29(38)36-15-22(16-36)35-13-21(33)14-35)10-11-24(26)28(34-37)18-6-8-19(9-7-18)31(40)41/h1-3,6,17,19-22H,4-5,7-16H2,(H,40,41)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385427
PNG
(4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...)
Show SMILES CC1(O)CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H34ClN3O5/c1-30(39)13-14-33(16-30)27(35)20-11-12-22-24(15-20)34(32-26(22)18-7-9-19(10-8-18)29(37)38)28(36)25-21(17-5-6-17)3-2-4-23(25)31/h2-4,7,17,19-20,39H,5-6,8-16H2,1H3,(H,37,38)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385429
PNG
(4-((R or S)-1-chloro- 6-cyclopropylbenzoyl)- 6-((S...)
Show SMILES CN(C)[C@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C31H37ClN4O4/c1-34(2)22-14-15-35(17-22)29(37)21-12-13-24-26(16-21)36(33-28(24)19-8-10-20(11-9-19)31(39)40)30(38)27-23(18-6-7-18)4-3-5-25(27)32/h3-5,8,18,20-22H,6-7,9-17H2,1-2H3,(H,39,40)/t20?,21?,22-/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385407
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES CC(C)(O)C1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C31H36ClN3O5/c1-31(2,40)21-15-34(16-21)28(36)20-12-13-23-25(14-20)35(33-27(23)18-8-10-19(11-9-18)30(38)39)29(37)26-22(17-6-7-17)4-3-5-24(26)32/h3-5,8,17,19-21,40H,6-7,9-16H2,1-2H3,(H,38,39)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385459
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES O[C@@H]1CCC[C@H]1NC(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H33ClF3N3O5/c32-21-4-1-3-20(30(13-14-30)31(33,34)35)25(21)28(41)38-23-15-18(27(40)36-22-5-2-6-24(22)39)11-12-19(23)26(37-38)16-7-9-17(10-8-16)29(42)43/h1,3-4,7,17-18,22,24,39H,2,5-6,8-15H2,(H,36,40)(H,42,43)/t17?,18?,22-,24-/m1/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385472
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C32H28ClF4N3O4/c33-22-5-3-4-21(31(14-15-31)32(35,36)37)26(22)29(42)40-25-16-19(28(41)38-24-7-2-1-6-23(24)34)12-13-20(25)27(39-40)17-8-10-18(11-9-17)30(43)44/h1-8,18-19H,9-16H2,(H,38,41)(H,43,44)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385398
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC(O)(C1)C(F)(F)F
Show InChI InChI=1S/C29H29ClF3N3O5/c30-21-3-1-2-19(15-4-5-15)23(21)26(38)36-22-12-18(25(37)35-13-28(41,14-35)29(31,32)33)10-11-20(22)24(34-36)16-6-8-17(9-7-16)27(39)40/h1-3,6,15,17-18,41H,4-5,7-14H2,(H,39,40)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385405
PNG
(4-((R or S)-6-(3- aminoazetidine-1- carbonyl)-1-(2...)
Show SMILES NC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C28H31ClN4O4/c29-22-3-1-2-20(15-4-5-15)24(22)27(35)33-23-12-18(26(34)32-13-19(30)14-32)10-11-21(23)25(31-33)16-6-8-17(9-7-16)28(36)37/h1-3,6,15,17-19H,4-5,7-14,30H2,(H,36,37)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385417
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES COC[C@H]1CCCN1C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C31H36ClN3O5/c1-40-17-22-4-3-15-34(22)29(36)21-13-14-24-26(16-21)35(33-28(24)19-9-11-20(12-10-19)31(38)39)30(37)27-23(18-7-8-18)5-2-6-25(27)32/h2,5-6,9,18,20-22H,3-4,7-8,10-17H2,1H3,(H,38,39)/t20?,21?,22-/m1/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385463
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N[C@@H]1COC[C@@H]1F
Show InChI InChI=1S/C30H30ClF4N3O5/c31-20-3-1-2-19(29(10-11-29)30(33,34)35)24(20)27(40)38-23-12-17(26(39)36-22-14-43-13-21(22)32)8-9-18(23)25(37-38)15-4-6-16(7-5-15)28(41)42/h1-4,16-17,21-22H,5-14H2,(H,36,39)(H,41,42)/t16?,17?,21-,22+/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385446
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC2(COC2)C1
Show InChI InChI=1S/C30H32ClN3O5/c31-23-3-1-2-21(17-4-5-17)25(23)28(36)34-24-12-20(27(35)33-13-30(14-33)15-39-16-30)10-11-22(24)26(32-34)18-6-8-19(9-7-18)29(37)38/h1-3,6,17,19-20H,4-5,7-16H2,(H,37,38)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385421
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CCC[C@H]1CF
Show InChI InChI=1S/C30H33ClFN3O4/c31-24-5-1-4-22(17-6-7-17)26(24)29(37)35-25-15-20(28(36)34-14-2-3-21(34)16-32)12-13-23(25)27(33-35)18-8-10-19(11-9-18)30(38)39/h1,4-5,8,17,19-21H,2-3,6-7,9-16H2,(H,38,39)/t19?,20?,21-/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385460
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES O[C@@H]1CCC[C@@H]1NC(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H33ClF3N3O5/c32-21-4-1-3-20(30(13-14-30)31(33,34)35)25(21)28(41)38-23-15-18(27(40)36-22-5-2-6-24(22)39)11-12-19(23)26(37-38)16-7-9-17(10-8-16)29(42)43/h1,3-4,7,17-18,22,24,39H,2,5-6,8-15H2,(H,36,40)(H,42,43)/t17?,18?,22-,24+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385406
PNG
(4-((R or S)-6-(3- (aminomethyl)-3- methylazetidine...)
Show SMILES CC1(CN)CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H35ClN4O4/c1-30(14-32)15-34(16-30)27(36)20-11-12-22-24(13-20)35(33-26(22)18-7-9-19(10-8-18)29(38)39)28(37)25-21(17-5-6-17)3-2-4-23(25)31/h2-4,7,17,19-20H,5-6,8-16,32H2,1H3,(H,38,39)
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n/an/a 14n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385410
PNG
(4-((R or S)-6-(azetidin-3- yl(methyl)carbamoyl)- 1...)
Show SMILES CN(C1CNC1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C29H33ClN4O4/c1-33(20-14-31-15-20)27(35)19-11-12-22-24(13-19)34(32-26(22)17-7-9-18(10-8-17)29(37)38)28(36)25-21(16-5-6-16)3-2-4-23(25)30/h2-4,7,16,18-20,31H,5-6,8-15H2,1H3,(H,37,38)
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n/an/a 18n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385408
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES CN(C)C1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H35ClN4O4/c1-33(2)21-15-34(16-21)28(36)20-12-13-23-25(14-20)35(32-27(23)18-8-10-19(11-9-18)30(38)39)29(37)26-22(17-6-7-17)4-3-5-24(26)31/h3-5,8,17,19-21H,6-7,9-16H2,1-2H3,(H,38,39)
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n/an/a 19n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385420
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES COC[C@@H]1CCCN1C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C31H36ClN3O5/c1-40-17-22-4-3-15-34(22)29(36)21-13-14-24-26(16-21)35(33-28(24)19-9-11-20(12-10-19)31(38)39)30(37)27-23(18-7-8-18)5-2-6-25(27)32/h2,5-6,9,18,20-22H,3-4,7-8,10-17H2,1H3,(H,38,39)/t20?,21?,22-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385458
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N[C@H]1CCC[C@H]1F
Show InChI InChI=1S/C31H32ClF4N3O4/c32-21-4-1-3-20(30(13-14-30)31(34,35)36)25(21)28(41)39-24-15-18(27(40)37-23-6-2-5-22(23)33)11-12-19(24)26(38-39)16-7-9-17(10-8-16)29(42)43/h1,3-4,7,17-18,22-23H,2,5-6,8-15H2,(H,37,40)(H,42,43)/t17?,18?,22-,23+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385538
PNG
(US10287272, Example 19A)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c2C1)N1CCC(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40ClF3N4O5/c1-31(2,3)46-30(44)19-10-14-39(15-11-19)27-22-9-8-20(28(42)40-17-21(18-40)45-4)16-25(22)41(38-27)29(43)26-23(6-5-7-24(26)34)32(12-13-32)33(35,36)37/h5-7,19-21H,8-18H2,1-4H3
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n/an/a 20n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385424
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC[C@H]1CCCN1C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H34ClN3O5/c31-24-5-1-4-22(17-6-7-17)26(24)29(37)34-25-15-20(28(36)33-14-2-3-21(33)16-35)12-13-23(25)27(32-34)18-8-10-19(11-9-18)30(38)39/h1,4-5,8,17,19-21,35H,2-3,6-7,9-16H2,(H,38,39)/t19?,20?,21-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385438
PNG
(4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...)
Show SMILES CN1CCC11CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C32H37ClN4O4/c1-35-15-13-32(35)14-16-36(18-32)29(38)22-11-12-24-26(17-22)37(34-28(24)20-7-9-21(10-8-20)31(40)41)30(39)27-23(19-5-6-19)3-2-4-25(27)33/h2-4,7,19,21-22H,5-6,8-18H2,1H3,(H,40,41)
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n/an/a 27n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385409
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES CN1CCCC11CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C32H37ClN4O4/c1-35-15-3-14-32(35)17-36(18-32)29(38)22-12-13-24-26(16-22)37(34-28(24)20-8-10-21(11-9-20)31(40)41)30(39)27-23(19-6-7-19)4-2-5-25(27)33/h2,4-5,8,19,21-22H,3,6-7,9-18H2,1H3,(H,40,41)
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n/an/a 35n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385465
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)NCC1(F)CNC1
Show InChI InChI=1S/C30H31ClF4N4O4/c31-21-3-1-2-20(29(10-11-29)30(33,34)35)23(21)26(41)39-22-12-18(25(40)37-15-28(32)13-36-14-28)8-9-19(22)24(38-39)16-4-6-17(7-5-16)27(42)43/h1-4,17-18,36H,5-15H2,(H,37,40)(H,42,43)
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n/an/a 36n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385467
PNG
((1R or S)-4-((6R or S)-1- (2-chloro-6-(1- (trifluo...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)NC1CCNCC1(F)F
Show InChI InChI=1S/C31H32ClF5N4O4/c32-21-3-1-2-20(29(11-12-29)31(35,36)37)24(21)27(43)41-22-14-18(26(42)39-23-10-13-38-15-30(23,33)34)8-9-19(22)25(40-41)16-4-6-17(7-5-16)28(44)45/h1-4,17-18,23,38H,5-15H2,(H,39,42)(H,44,45)
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n/an/a 36n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385537
PNG
(US10287272, Example 18A)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(nn(C(=O)c3c(Cl)cccc3C3CC3)c2C1)N1CCC(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C32H41ClN4O5/c1-32(2,3)42-31(40)20-12-14-35(15-13-20)28-24-11-10-21(29(38)36-17-22(18-36)41-4)16-26(24)37(34-28)30(39)27-23(19-8-9-19)6-5-7-25(27)33/h5-7,19-22H,8-18H2,1-4H3
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n/an/a 44n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385457
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES O[C@H]1CCC[C@H]1NC(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H33ClF3N3O5/c32-21-4-1-3-20(30(13-14-30)31(33,34)35)25(21)28(41)38-23-15-18(27(40)36-22-5-2-6-24(22)39)11-12-19(23)26(37-38)16-7-9-17(10-8-16)29(42)43/h1,3-4,7,17-18,22,24,39H,2,5-6,8-15H2,(H,36,40)(H,42,43)/t17?,18?,22-,24+/m1/s1
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n/an/a 44n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385526
PNG
(4-((6R or S)-1-(2- chloro-6-(1- (trifluoromethyl)c...)
Show SMILES CC1(O)CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H33ClF3N3O5/c1-29(43)13-14-37(16-29)26(39)19-9-10-20-23(15-19)38(36-25(20)17-5-7-18(8-6-17)28(41)42)27(40)24-21(3-2-4-22(24)32)30(11-12-30)31(33,34)35/h2-5,18-19,43H,6-16H2,1H3,(H,41,42)
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n/an/a 45n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385469
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES CN(C)CC(F)(F)CNC(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H34ClF5N4O4/c1-40(2)16-30(33,34)15-38-26(42)19-10-11-20-23(14-19)41(39-25(20)17-6-8-18(9-7-17)28(44)45)27(43)24-21(4-3-5-22(24)32)29(12-13-29)31(35,36)37/h3-6,18-19H,7-16H2,1-2H3,(H,38,42)(H,44,45)
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n/an/a 49n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385522
PNG
(US10287272, Example 14A)
Show SMILES COC1(C)CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)OC(C)(C)C)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C36H43ClF3N3O5/c1-33(2,3)48-32(46)22-11-9-21(10-12-22)29-24-14-13-23(30(44)42-18-17-34(4,20-42)47-5)19-27(24)43(41-29)31(45)28-25(7-6-8-26(28)37)35(15-16-35)36(38,39)40/h6-9,22-23H,10-20H2,1-5H3
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385523
PNG
(4-((R or S)-1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES COCCN(C)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C30H33ClF3N3O5/c1-36(14-15-42-2)26(38)19-10-11-20-23(16-19)37(35-25(20)17-6-8-18(9-7-17)28(40)41)27(39)24-21(4-3-5-22(24)31)29(12-13-29)30(32,33)34/h3-6,18-19H,7-16H2,1-2H3,(H,40,41)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385468
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)NC[C@]1(F)CCCNC1
Show InChI InChI=1S/C32H35ClF4N4O4/c33-23-4-1-3-22(31(12-13-31)32(35,36)37)25(23)28(43)41-24-15-20(27(42)39-17-30(34)11-2-14-38-16-30)9-10-21(24)26(40-41)18-5-7-19(8-6-18)29(44)45/h1,3-5,19-20,38H,2,6-17H2,(H,39,42)(H,44,45)/t19?,20?,30-/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385445
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES CS(=O)(=O)C1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C29H32ClN3O6S/c1-40(38,39)20-14-32(15-20)27(34)19-11-12-22-24(13-19)33(31-26(22)17-7-9-18(10-8-17)29(36)37)28(35)25-21(16-5-6-16)3-2-4-23(25)30/h2-4,7,16,18-20H,5-6,8-15H2,1H3,(H,36,37)
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n/an/a 61n/an/an/an/an/an/a



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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385416
PNG
(4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...)
Show SMILES CN1CCC2CN(CC12)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C32H37ClN4O4/c1-35-14-13-22-16-36(17-27(22)35)30(38)21-11-12-24-26(15-21)37(34-29(24)19-7-9-20(10-8-19)32(40)41)31(39)28-23(18-5-6-18)3-2-4-25(28)33/h2-4,7,18,20-22,27H,5-6,8-17H2,1H3,(H,40,41)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385519
PNG
(US10287272, Example 11A | US10287272, Example 12A)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)OC(C)(C)C)C(=O)c1c(Cl)cccc1C1(F)CCC1
Show InChI InChI=1S/C36H46ClFN4O4/c1-35(2,3)46-34(45)23-12-10-22(11-13-23)31-26-15-14-24(32(43)41-19-16-25(21-41)40(4)5)20-29(26)42(39-31)33(44)30-27(8-6-9-28(30)37)36(38)17-7-18-36/h6,8-10,23-25H,7,11-21H2,1-5H3/t23?,24?,25-/m1/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385466
PNG
((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)NCC1(F)CCNCC1
Show InChI InChI=1S/C32H35ClF4N4O4/c33-23-3-1-2-22(31(10-11-31)32(35,36)37)25(23)28(43)41-24-16-20(27(42)39-17-30(34)12-14-38-15-13-30)8-9-21(24)26(40-41)18-4-6-19(7-5-18)29(44)45/h1-4,19-20,38H,5-17H2,(H,39,42)(H,44,45)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385428
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES CN1CCN(CC11COC1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C32H37ClN4O5/c1-35-13-14-36(16-32(35)17-42-18-32)29(38)22-11-12-24-26(15-22)37(34-28(24)20-7-9-21(10-8-20)31(40)41)30(39)27-23(19-5-6-19)3-2-4-25(27)33/h2-4,7,19,21-22H,5-6,8-18H2,1H3,(H,40,41)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385413
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC[C@@H]1CCN1C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C29H32ClN3O5/c30-23-3-1-2-21(16-4-5-16)25(23)28(36)33-24-14-19(27(35)32-13-12-20(32)15-34)10-11-22(24)26(31-33)17-6-8-18(9-7-17)29(37)38/h1-3,6,16,18-20,34H,4-5,7-15H2,(H,37,38)/t18?,19?,20-/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385521
PNG
(US10287272, Example 13A)
Show SMILES COC(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)OC(C)(C)C)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H34ClF3N2O5/c1-29(2,3)42-28(40)18-10-8-17(9-11-18)25-20-13-12-19(27(39)41-4)16-23(20)37(36-25)26(38)24-21(6-5-7-22(24)32)30(14-15-30)31(33,34)35/h5-8,18-19H,9-16H2,1-4H3
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385422
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CCC[C@@H]1CF
Show InChI InChI=1S/C30H33ClFN3O4/c31-24-5-1-4-22(17-6-7-17)26(24)29(37)35-25-15-20(28(36)34-14-2-3-21(34)16-32)12-13-23(25)27(33-35)18-8-10-19(11-9-18)30(38)39/h1,4-5,8,17,19-21H,2-3,6-7,9-16H2,(H,38,39)/t19?,20?,21-/m1/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385418
PNG
(4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...)
Show SMILES Cn1cnc(n1)C1CCCN1C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C32H35ClN6O4/c1-37-17-34-29(36-37)25-6-3-15-38(25)30(40)21-13-14-23-26(16-21)39(35-28(23)19-9-11-20(12-10-19)32(42)43)31(41)27-22(18-7-8-18)4-2-5-24(27)33/h2,4-5,9,17-18,20-21,25H,3,6-8,10-16H2,1H3,(H,42,43)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385527
PNG
(US10287272, Example 15A | US10287272, Example 16A)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)OC(C)(C)C)C(=O)c1c(Cl)cccc1C1(F)CCC1
Show InChI InChI=1S/C34H41ClFN3O5/c1-33(2,3)44-32(42)21-11-9-20(10-12-21)29-24-14-13-22(30(40)38-18-23(19-38)43-4)17-27(24)39(37-29)31(41)28-25(7-5-8-26(28)35)34(36)15-6-16-34/h5,7-9,21-23H,6,10-19H2,1-4H3
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385423
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC[C@@H]1CCCN1C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H34ClN3O5/c31-24-5-1-4-22(17-6-7-17)26(24)29(37)34-25-15-20(28(36)33-14-2-3-21(33)16-35)12-13-23(25)27(32-34)18-8-10-19(11-9-18)30(38)39/h1,4-5,8,17,19-21,35H,2-3,6-7,9-16H2,(H,38,39)/t19?,20?,21-/m0/s1
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385524
PNG
(4-((R or S)-1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES CN(C)CCN(C)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H36ClF3N4O4/c1-37(2)15-16-38(3)27(40)20-11-12-21-24(17-20)39(36-26(21)18-7-9-19(10-8-18)29(42)43)28(41)25-22(5-4-6-23(25)32)30(13-14-30)31(33,34)35/h4-7,19-20H,8-17H2,1-3H3,(H,42,43)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385517
PNG
(4-((R or S)-1-(2-chloro-6-cyclopropylbenzoyl)-6-(3...)
Show SMILES COC1CN(C1)C(=O)C1(C)CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H34ClN3O5/c1-30(29(38)33-15-20(16-33)39-2)13-12-22-24(14-30)34(32-26(22)18-8-10-19(11-9-18)28(36)37)27(35)25-21(17-6-7-17)4-3-5-23(25)31/h3-5,8,17,19-20H,6-7,9-16H2,1-2H3,(H,36,37)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385419
PNG
(4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...)
Show SMILES CNCC1CCCN1C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C31H37ClN4O4/c1-33-17-22-4-3-15-35(22)29(37)21-13-14-24-26(16-21)36(34-28(24)19-9-11-20(12-10-19)31(39)40)30(38)27-23(18-7-8-18)5-2-6-25(27)32/h2,5-6,9,18,20-22,33H,3-4,7-8,10-17H2,1H3,(H,39,40)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385518
PNG
(4-((R or S)-1-(2-(azetidin-1-yl)-4-methylnicotinoy...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(C)ccnc1N1CCC1
Show InChI InChI=1S/C29H35N5O5/c1-17-10-11-30-26(32-12-3-13-32)24(17)28(36)34-23-14-20(27(35)33-15-21(16-33)39-2)8-9-22(23)25(31-34)18-4-6-19(7-5-18)29(37)38/h4,10-11,19-21H,3,5-9,12-16H2,1-2H3,(H,37,38)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385443
PNG
(4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...)
Show SMILES CN1CCC(C1)OC(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H34ClN3O5/c1-33-14-13-21(16-33)39-30(38)20-11-12-23-25(15-20)34(32-27(23)18-7-9-19(10-8-18)29(36)37)28(35)26-22(17-5-6-17)3-2-4-24(26)31/h2-4,7,17,19-21H,5-6,8-16H2,1H3,(H,36,37)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385446
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC2(COC2)C1
Show InChI InChI=1S/C30H32ClN3O5/c31-23-3-1-2-21(17-4-5-17)25(23)28(36)34-24-12-20(27(35)33-13-30(14-33)15-39-16-30)10-11-22(24)26(32-34)18-6-8-19(9-7-18)29(37)38/h1-3,6,17,19-20H,4-5,7-16H2,(H,37,38)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385390
PNG
(US10287272, Example 1A)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)OC(C)(C)C)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C33H40ClN3O5/c1-33(2,3)42-32(40)21-12-10-20(11-13-21)29-25-15-14-22(30(38)36-17-23(18-36)41-4)16-27(25)37(35-29)31(39)28-24(19-8-9-19)6-5-7-26(28)34/h5-7,10,19,21-23H,8-9,11-18H2,1-4H3
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385525
PNG
(4-((R or S)-1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES CN(C)CCNC(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C30H34ClF3N4O4/c1-37(2)15-14-35-26(39)19-10-11-20-23(16-19)38(36-25(20)17-6-8-18(9-7-17)28(41)42)27(40)24-21(4-3-5-22(24)31)29(12-13-29)30(32,33)34/h3-6,18-19H,7-16H2,1-2H3,(H,35,39)(H,41,42)
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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 US10287272 (2019)

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


(Homo sapiens (Human))
BDBM385444
PNG
(4-((R or S)-1-(2-chloro- 6-cyclopropylbenzoyl)- 6-...)
Show SMILES CN1CCN(CC1=O)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H33ClN4O5/c1-33-13-14-34(16-25(33)36)28(37)20-11-12-22-24(15-20)35(32-27(22)18-7-9-19(10-8-18)30(39)40)29(38)26-21(17-5-6-17)3-2-4-23(26)31/h2-4,7,17,19-20H,5-6,8-16H2,1H3,(H,39,40)
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US Patent
n/an/a 1.04E+3n/an/an/an/an/an/a



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 US10287272 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%