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USPatent US10221142

Compile data set for download or QSAR
Found 124 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))		BDBM359569
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCn3ncnc3C2)c(F)c1
Show InChI InChI=1S/C31H25ClF4N6O4/c32-21-3-1-2-20(30(8-9-30)31(34,35)36)25(21)28(44)42-23-13-16(27(43)40-10-11-41-24(14-40)37-15-38-41)4-7-19(23)26(39-42)18-6-5-17(29(45)46)12-22(18)33/h1-3,5-6,12,15-16H,4,7-11,13-14H2,(H,45,46)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359544
PNG
(4-{(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F
Show InChI InChI=1S/C30H27ClF3N3O5/c1-42-17-13-36(14-17)26(38)15-5-8-19-23(12-15)37(35-25(19)18-7-6-16(28(40)41)11-22(18)32)27(39)24-20(3-2-4-21(24)31)30(9-10-30)29(33)34/h2-4,6-7,11,15,17,29H,5,8-10,12-14H2,1H3,(H,40,41)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359568
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES Cn1cc2CN(CCc2n1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C33H28ClF4N5O4/c1-41-15-19-16-42(12-9-25(19)39-41)29(44)17-5-8-21-26(14-17)43(40-28(21)20-7-6-18(31(46)47)13-24(20)35)30(45)27-22(3-2-4-23(27)34)32(10-11-32)33(36,37)38/h2-4,6-7,13,15,17H,5,8-12,14,16H2,1H3,(H,46,47)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359566
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES Cn1ncc2CN(Cc12)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H26ClF4N5O4/c1-40-25-15-41(14-18(25)13-38-40)28(43)16-5-8-20-24(12-16)42(39-27(20)19-7-6-17(30(45)46)11-23(19)34)29(44)26-21(3-2-4-22(26)33)31(9-10-31)32(35,36)37/h2-4,6-7,11,13,16H,5,8-10,12,14-15H2,1H3,(H,45,46)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359571
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)c...)
Show SMILES CN(C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)c1cnn(C)c1
Show InChI InChI=1S/C31H26ClF4N5O4/c1-39-15-18(14-37-39)40(2)27(42)16-6-9-20-24(13-16)41(38-26(20)19-8-7-17(29(44)45)12-23(19)33)28(43)25-21(4-3-5-22(25)32)30(10-11-30)31(34,35)36/h3-5,7-8,12,14-16H,6,9-11,13H2,1-2H3,(H,44,45)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359545
PNG
(4-{(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES COC1(C)CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H28ClF4N3O5/c1-29(44-2)14-38(15-29)26(40)16-6-9-19-23(13-16)39(37-25(19)18-8-7-17(28(42)43)12-22(18)33)27(41)24-20(4-3-5-21(24)32)30(10-11-30)31(34,35)36/h3-5,7-8,12,16H,6,9-11,13-15H2,1-2H3,(H,42,43)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359567
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCc3[nH]ncc3C2)c(F)c1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359543
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCC3(CCCO3)C2)c(F)c1
Show InChI InChI=1S/C33H30ClF4N3O5/c34-23-4-1-3-22(32(10-11-32)33(36,37)38)26(23)29(43)41-25-16-18(28(42)40-13-12-31(17-40)9-2-14-46-31)5-8-21(25)27(39-41)20-7-6-19(30(44)45)15-24(20)35/h1,3-4,6-7,15,18H,2,5,8-14,16-17H2,(H,44,45)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359548
PNG
(4-{(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...)
Show SMILES COC1(C)CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F
Show InChI InChI=1S/C31H29ClF3N3O5/c1-30(43-2)14-37(15-30)26(39)16-6-9-19-23(13-16)38(36-25(19)18-8-7-17(28(41)42)12-22(18)33)27(40)24-20(4-3-5-21(24)32)31(10-11-31)29(34)35/h3-5,7-8,12,16,29H,6,9-11,13-15H2,1-2H3,(H,41,42)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359570
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES Cc1nc2CN(Cc2[nH]1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359582
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CC3(COC3)C2)c(F)c1
Show InChI InChI=1S/C31H26ClF4N3O5/c32-21-3-1-2-20(30(8-9-30)31(34,35)36)24(21)27(41)39-23-11-16(26(40)38-12-29(13-38)14-44-15-29)4-7-19(23)25(37-39)18-6-5-17(28(42)43)10-22(18)33/h1-3,5-6,10,16H,4,7-9,11-15H2,(H,42,43)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359535
PNG
(US10221142, Example 21A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCC3(COC3)C2)c(F)c1
Show InChI InChI=1S/C32H28ClF4N3O5/c33-22-3-1-2-21(31(8-9-31)32(35,36)37)25(22)28(42)40-24-13-17(27(41)39-11-10-30(14-39)15-45-16-30)4-7-20(24)26(38-40)19-6-5-18(29(43)44)12-23(19)34/h1-3,5-6,12,17H,4,7-11,13-16H2,(H,43,44)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359540
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CC3(C2)CCCO3)c(F)c1
Show InChI InChI=1S/C32H28ClF4N3O5/c33-22-4-1-3-21(31(10-11-31)32(35,36)37)25(22)28(42)40-24-14-17(27(41)39-15-30(16-39)9-2-12-45-30)5-8-20(24)26(38-40)19-7-6-18(29(43)44)13-23(19)34/h1,3-4,6-7,13,17H,2,5,8-12,14-16H2,(H,43,44)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359577
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES CO[C@H]1CN(C[C@@H]1O)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C31H28ClF4N3O6/c1-45-24-14-38(13-23(24)40)27(41)15-5-8-18-22(12-15)39(37-26(18)17-7-6-16(29(43)44)11-21(17)33)28(42)25-19(3-2-4-20(25)32)30(9-10-30)31(34,35)36/h2-4,6-7,11,15,23-24,40H,5,8-10,12-14H2,1H3,(H,43,44)/t15?,23-,24-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359547
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES CN(C)C1CN(CC1(F)F)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H29ClF6N4O4/c1-41(2)24-14-42(15-31(24,35)36)27(44)16-6-9-19-23(13-16)43(40-26(19)18-8-7-17(29(46)47)12-22(18)34)28(45)25-20(4-3-5-21(25)33)30(10-11-30)32(37,38)39/h3-5,7-8,12,16,24H,6,9-11,13-15H2,1-2H3,(H,46,47)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359550
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)F)c3CC(CCc23)C(=O)N2CCC3(COC3)C2)c(F)c1
Show InChI InChI=1S/C32H29ClF3N3O5/c33-22-3-1-2-21(32(8-9-32)30(35)36)25(22)28(41)39-24-13-17(27(40)38-11-10-31(14-38)15-44-16-31)4-7-20(24)26(37-39)19-6-5-18(29(42)43)12-23(19)34/h1-3,5-6,12,17,30H,4,7-11,13-16H2,(H,42,43)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359551
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...)
Show SMILES O[C@@H]1CN(C[C@@H]1F)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F |r|
Show InChI InChI=1S/C30H26ClF4N3O5/c31-19-3-1-2-18(30(8-9-30)29(34)35)24(19)27(41)38-22-11-14(26(40)37-12-21(33)23(39)13-37)4-7-17(22)25(36-38)16-6-5-15(28(42)43)10-20(16)32/h1-3,5-6,10,14,21,23,29,39H,4,7-9,11-13H2,(H,42,43)/t14?,21-,23+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359539
PNG
(4-{(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C30H26ClF4N3O5/c1-43-17-13-37(14-17)26(39)15-5-8-19-23(12-15)38(36-25(19)18-7-6-16(28(41)42)11-22(18)32)27(40)24-20(3-2-4-21(24)31)29(9-10-29)30(33,34)35/h2-4,6-7,11,15,17H,5,8-10,12-14H2,1H3,(H,41,42)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359586
PNG
(4-{(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES OC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C29H24ClF4N3O5/c30-20-3-1-2-19(28(8-9-28)29(32,33)34)23(20)26(40)37-22-11-14(25(39)36-12-16(38)13-36)4-7-18(22)24(35-37)17-6-5-15(27(41)42)10-21(17)31/h1-3,5-6,10,14,16,38H,4,7-9,11-13H2,(H,41,42)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359565
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES CN(Cc1cnn(C)c1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H28ClF4N5O4/c1-40(15-17-14-38-41(2)16-17)28(43)18-6-9-21-25(13-18)42(39-27(21)20-8-7-19(30(45)46)12-24(20)34)29(44)26-22(4-3-5-23(26)33)31(10-11-31)32(35,36)37/h3-5,7-8,12,14,16,18H,6,9-11,13,15H2,1-2H3,(H,45,46)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359578
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1O)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C32H31ClF4N4O5/c1-39(2)24-14-40(15-25(24)42)28(43)16-6-9-19-23(13-16)41(38-27(19)18-8-7-17(30(45)46)12-22(18)34)29(44)26-20(4-3-5-21(26)33)31(10-11-31)32(35,36)37/h3-5,7-8,12,16,24-25,42H,6,9-11,13-15H2,1-2H3,(H,45,46)/t16?,24-,25-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359584
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CC(C2)N2CC(F)C2)c(F)c1
Show InChI InChI=1S/C32H28ClF5N4O4/c33-23-3-1-2-22(31(8-9-31)32(36,37)38)26(23)29(44)42-25-11-16(28(43)41-14-19(15-41)40-12-18(34)13-40)4-7-21(25)27(39-42)20-6-5-17(30(45)46)10-24(20)35/h1-3,5-6,10,16,18-19H,4,7-9,11-15H2,(H,45,46)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359541
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C32H31ClF4N4O4/c1-39(2)19-10-13-40(16-19)28(42)17-6-9-21-25(15-17)41(38-27(21)20-8-7-18(30(44)45)14-24(20)34)29(43)26-22(4-3-5-23(26)33)31(11-12-31)32(35,36)37/h3-5,7-8,14,17,19H,6,9-13,15-16H2,1-2H3,(H,44,45)/t17?,19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359574
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CC[C@H](C2)C#N)c(F)c1 |r|
Show InChI InChI=1S/C31H25ClF4N4O4/c32-22-3-1-2-21(30(9-10-30)31(34,35)36)25(22)28(42)40-24-13-17(27(41)39-11-8-16(14-37)15-39)4-7-20(24)26(38-40)19-6-5-18(29(43)44)12-23(19)33/h1-3,5-6,12,16-17H,4,7-11,13,15H2,(H,43,44)/t16-,17?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359564
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES CN(CCc1cnn(C)c1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C33H30ClF4N5O4/c1-41(13-10-18-16-39-42(2)17-18)29(44)19-6-9-22-26(15-19)43(40-28(22)21-8-7-20(31(46)47)14-25(21)35)30(45)27-23(4-3-5-24(27)34)32(11-12-32)33(36,37)38/h3-5,7-8,14,16-17,19H,6,9-13,15H2,1-2H3,(H,46,47)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359541
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C32H31ClF4N4O4/c1-39(2)19-10-13-40(16-19)28(42)17-6-9-21-25(15-17)41(38-27(21)20-8-7-18(30(44)45)14-24(20)34)29(43)26-22(4-3-5-23(26)33)31(11-12-31)32(35,36)37/h3-5,7-8,14,17,19H,6,9-13,15-16H2,1-2H3,(H,44,45)/t17?,19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359552
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES Cn1nc(c2CN(CCc12)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H27ClF7N5O4/c1-45-24-9-12-46(15-20(24)28(44-45)33(37,38)39)29(48)16-5-8-19-25(14-16)47(43-27(19)18-7-6-17(31(50)51)13-23(18)36)30(49)26-21(3-2-4-22(26)35)32(10-11-32)34(40,41)42/h2-4,6-7,13,16H,5,8-12,14-15H2,1H3,(H,50,51)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359555
PNG
((R or S)-4-(6-(((1H- pyrazol-5- yl)methyl)(methyl)...)
Show SMILES CN(Cc1ccn[nH]1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359510
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)- 6-(3- metho...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C29H27ClFN3O5/c1-39-18-13-33(14-18)27(35)16-7-10-21-24(12-16)34(28(36)25-19(15-5-6-15)3-2-4-22(25)30)32-26(21)20-9-8-17(29(37)38)11-23(20)31/h2-4,8-9,11,15-16,18H,5-7,10,12-14H2,1H3,(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359556
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES CN(Cc1ccon1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H25ClF4N4O5/c1-39(15-18-9-12-45-38-18)27(41)16-5-8-20-24(14-16)40(37-26(20)19-7-6-17(29(43)44)13-23(19)33)28(42)25-21(3-2-4-22(25)32)30(10-11-30)31(34,35)36/h2-4,6-7,9,12-13,16H,5,8,10-11,14-15H2,1H3,(H,43,44)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359559
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES CN(Cc1ccccn1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C33H27ClF4N4O4/c1-41(17-20-5-2-3-14-39-20)29(43)18-8-11-22-26(16-18)42(40-28(22)21-10-9-19(31(45)46)15-25(21)35)30(44)27-23(6-4-7-24(27)34)32(12-13-32)33(36,37)38/h2-7,9-10,14-15,18H,8,11-13,16-17H2,1H3,(H,45,46)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359579
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES COCCN(C)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C30H28ClF4N3O5/c1-37(12-13-43-2)26(39)16-6-9-19-23(15-16)38(36-25(19)18-8-7-17(28(41)42)14-22(18)32)27(40)24-20(4-3-5-21(24)31)29(10-11-29)30(33,34)35/h3-5,7-8,14,16H,6,9-13,15H2,1-2H3,(H,41,42)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359557
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES CC(C)n1cc(CN(C)C(=O)C2CCc3c(C2)n(nc3-c2ccc(cc2F)C(O)=O)C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)cn1
Show InChI InChI=1S/C34H32ClF4N5O4/c1-18(2)43-17-19(15-40-43)16-42(3)30(45)20-7-10-23-27(14-20)44(41-29(23)22-9-8-21(32(47)48)13-26(22)36)31(46)28-24(5-4-6-25(28)35)33(11-12-33)34(37,38)39/h4-6,8-9,13,15,17-18,20H,7,10-12,14,16H2,1-3H3,(H,47,48)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359585
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES CN(C)C1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H29ClF4N4O4/c1-38(2)18-14-39(15-18)27(41)16-6-9-20-24(13-16)40(37-26(20)19-8-7-17(29(43)44)12-23(19)33)28(42)25-21(4-3-5-22(25)32)30(10-11-30)31(34,35)36/h3-5,7-8,12,16,18H,6,9-11,13-15H2,1-2H3,(H,43,44)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359558
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES CN(Cc1csc(C)n1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H27ClF4N4O4S/c1-16-38-19(15-46-16)14-40(2)28(42)17-6-9-21-25(13-17)41(39-27(21)20-8-7-18(30(44)45)12-24(20)34)29(43)26-22(4-3-5-23(26)33)31(10-11-31)32(35,36)37/h3-5,7-8,12,15,17H,6,9-11,13-14H2,1-2H3,(H,44,45)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359572
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2Cc3ncsc3C2)c(F)c1
Show InChI InChI=1S/C31H23ClF4N4O4S/c32-20-3-1-2-19(30(8-9-30)31(34,35)36)25(20)28(42)40-23-11-15(27(41)39-12-22-24(13-39)45-14-37-22)4-7-18(23)26(38-40)17-6-5-16(29(43)44)10-21(17)33/h1-3,5-6,10,14-15H,4,7-9,11-13H2,(H,43,44)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359573
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES Cc1nc2CN(Cc2s1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H25ClF4N4O4S/c1-15-38-23-13-40(14-25(23)46-15)28(42)16-5-8-19-24(12-16)41(39-27(19)18-7-6-17(30(44)45)11-22(18)34)29(43)26-20(3-2-4-21(26)33)31(9-10-31)32(35,36)37/h2-4,6-7,11,16H,5,8-10,12-14H2,1H3,(H,44,45)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359587
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES OC1CCN(CC1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H28ClF4N3O5/c32-22-3-1-2-21(30(10-11-30)31(34,35)36)25(22)28(42)39-24-15-16(27(41)38-12-8-18(40)9-13-38)4-7-20(24)26(37-39)19-6-5-17(29(43)44)14-23(19)33/h1-3,5-6,14,16,18,40H,4,7-13,15H2,(H,43,44)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359576
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCOC3(CC3)C2)c(F)c1
Show InChI InChI=1S/C32H28ClF4N3O5/c33-22-3-1-2-21(31(10-11-31)32(35,36)37)25(22)28(42)40-24-15-17(27(41)39-12-13-45-30(16-39)8-9-30)4-7-20(24)26(38-40)19-6-5-18(29(43)44)14-23(19)34/h1-3,5-6,14,17H,4,7-13,15-16H2,(H,43,44)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359537
PNG
(4-{(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(C(O)=O)c(C)c1)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H29ClF3N3O5/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/h3-6,8,12,18-19H,7,9-11,13-15H2,1-2H3,(H,41,42)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359538
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES Cc1cc(ccc1C(O)=O)-c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CC2(C1)CCCO2
Show InChI InChI=1S/C33H31ClF3N3O5/c1-18-14-19(6-8-21(18)30(43)44)27-22-9-7-20(28(41)39-16-31(17-39)10-3-13-45-31)15-25(22)40(38-27)29(42)26-23(4-2-5-24(26)34)32(11-12-32)33(35,36)37/h2,4-6,8,14,20H,3,7,9-13,15-17H2,1H3,(H,43,44)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359601
PNG
(US10221142, Example 32A)
Show SMILES OCC1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C25H22ClFN2O4/c26-19-3-1-2-16(14-5-6-14)22(19)24(31)29-21-10-13(12-30)4-8-18(21)23(28-29)17-9-7-15(25(32)33)11-20(17)27/h1-3,7,9,11,13-14,30H,4-6,8,10,12H2,(H,32,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359546
PNG
(4-[(6R or S)-6-[(3- azetidin-1- yl)pyrrolidin-1- y...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCC(C2)N2CCC2)c(F)c1
Show InChI InChI=1S/C33H31ClF4N4O4/c34-24-4-1-3-23(32(10-11-32)33(36,37)38)27(24)30(44)42-26-16-18(29(43)41-14-9-20(17-41)40-12-2-13-40)5-8-22(26)28(39-42)21-7-6-19(31(45)46)15-25(21)35/h1,3-4,6-7,15,18,20H,2,5,8-14,16-17H2,(H,45,46)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359588
PNG
((R or S)-4-(1-(2- (difluoromethyl)-6- (1- (trifluo...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(cccc3C3(CC3)C(F)(F)F)C(F)F)c3CC(CCc23)C(=O)N2CCC3(COC3)C2)c(F)c1
Show InChI InChI=1S/C33H29F6N3O5/c34-23-12-18(30(45)46)5-6-19(23)26-20-7-4-17(28(43)41-11-10-31(14-41)15-47-16-31)13-24(20)42(40-26)29(44)25-21(27(35)36)2-1-3-22(25)32(8-9-32)33(37,38)39/h1-3,5-6,12,17,27H,4,7-11,13-16H2,(H,45,46)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359575
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C30H26ClF4N3O5/c31-21-3-1-2-20(29(8-9-29)30(33,34)35)24(21)27(40)38-23-15-16(26(39)37-10-12-43-13-11-37)4-7-19(23)25(36-38)18-6-5-17(28(41)42)14-22(18)32/h1-3,5-6,14,16H,4,7-13,15H2,(H,41,42)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359563
PNG
((R or S)-4-(6-((2- (1H-imidazol-1- yl)ethyl)(methy...)
Show SMILES CN(CCn1ccnc1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H28ClF4N5O4/c1-40(13-14-41-12-11-38-17-41)28(43)18-5-8-21-25(16-18)42(39-27(21)20-7-6-19(30(45)46)15-24(20)34)29(44)26-22(3-2-4-23(26)33)31(9-10-31)32(35,36)37/h2-4,6-7,11-12,15,17-18H,5,8-10,13-14,16H2,1H3,(H,45,46)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359560
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES CN(Cc1cccnc1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C33H27ClF4N4O4/c1-41(17-18-4-3-13-39-16-18)29(43)19-7-10-22-26(15-19)42(40-28(22)21-9-8-20(31(45)46)14-25(21)35)30(44)27-23(5-2-6-24(27)34)32(11-12-32)33(36,37)38/h2-6,8-9,13-14,16,19H,7,10-12,15,17H2,1H3,(H,45,46)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359536
PNG
((R or S)-4-(1-(2- chloro-6-cyclopropyl- 3-fluorobe...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)c(F)ccc3C3CC3)c3CC(CCc23)C(=O)N2CC(C2)N2CC(F)C2)c(F)c1
Show InChI InChI=1S/C31H28ClF3N4O4/c32-27-23(34)8-7-20(15-1-2-15)26(27)30(41)39-25-10-16(29(40)38-13-19(14-38)37-11-18(33)12-37)3-6-22(25)28(36-39)21-5-4-17(31(42)43)9-24(21)35/h4-5,7-9,15-16,18-19H,1-3,6,10-14H2,(H,42,43)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359506
PNG
(US10221142, Example 9A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3COCCc23)c(F)c1
Show InChI InChI=1S/C23H18ClFN2O4/c24-17-3-1-2-14(12-4-5-12)20(17)22(28)27-19-11-31-9-8-16(19)21(26-27)15-7-6-13(23(29)30)10-18(15)25/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,29,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359562
PNG
((R or S)-4-(6-((2- (1H-pyrazol-1- yl)ethyl)(methyl...)
Show SMILES CN(CCn1cccn1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H28ClF4N5O4/c1-40(14-15-41-13-3-12-38-41)28(43)18-6-9-21-25(17-18)42(39-27(21)20-8-7-19(30(45)46)16-24(20)34)29(44)26-22(4-2-5-23(26)33)31(10-11-31)32(35,36)37/h2-5,7-8,12-13,16,18H,6,9-11,14-15,17H2,1H3,(H,45,46)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359501
PNG
(US10221142, Example 6A)
Show SMILES CN(C)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C27H25ClFN3O4/c1-31(2)25(33)15-8-11-19-22(13-15)32(26(34)23-17(14-6-7-14)4-3-5-20(23)28)30-24(19)18-10-9-16(27(35)36)12-21(18)29/h3-5,9-10,12,14-15H,6-8,11,13H2,1-2H3,(H,35,36)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359554
PNG
(4-((6R or S)-6-((1- (1H-pyrazol-5- yl)ethyl)(methy...)
Show SMILES CC(N(C)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)c1ccn[nH]1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359487
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)-4,5,6,7- tet...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CCCCc12
Show InChI InChI=1S/C24H21ClN2O4/c25-18-6-3-5-15(13-8-9-13)21(18)23(29)27-19-7-2-1-4-16(19)22(26-27)14-10-11-17(24(30)31)20(28)12-14/h3,5-6,10-13,28H,1-2,4,7-9H2,(H,30,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359561
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES CN(Cc1ccncc1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C33H27ClF4N4O4/c1-41(17-18-9-13-39-14-10-18)29(43)19-5-8-22-26(16-19)42(40-28(22)21-7-6-20(31(45)46)15-25(21)35)30(44)27-23(3-2-4-24(27)34)32(11-12-32)33(36,37)38/h2-4,6-7,9-10,13-15,19H,5,8,11-12,16-17H2,1H3,(H,45,46)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359607
PNG
(4-[1-({2-chloro-6-[1- (trifluoromethyl)cyclo propy...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CCCOc23)c(F)c1
Show InChI InChI=1S/C24H17ClF4N2O4/c25-15-4-1-3-14(23(8-9-23)24(27,28)29)18(15)21(32)31-17-5-2-10-35-20(17)19(30-31)13-7-6-12(22(33)34)11-16(13)26/h1,3-4,6-7,11H,2,5,8-10H2,(H,33,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359497
PNG
(US10221142, Example 2A)
Show SMILES OC(=O)c1cc(F)c(cc1O)-c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CCCCc12
Show InChI InChI=1S/C24H20ClFN2O4/c25-17-6-3-5-13(12-8-9-12)21(17)23(30)28-19-7-2-1-4-14(19)22(27-28)15-11-20(29)16(24(31)32)10-18(15)26/h3,5-6,10-12,29H,1-2,4,7-9H2,(H,31,32)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359602
PNG
(US10221142, Example 33A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CCCSc23)c(F)c1
Show InChI InChI=1S/C24H17ClF4N2O3S/c25-15-4-1-3-14(23(8-9-23)24(27,28)29)18(15)21(32)31-17-5-2-10-35-20(17)19(30-31)13-7-6-12(22(33)34)11-16(13)26/h1,3-4,6-7,11H,2,5,8-10H2,(H,33,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359488
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)-4,5,6,7- tet...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3CCCCc23)c(F)c1
Show InChI InChI=1S/C24H20ClFN2O3/c25-18-6-3-5-15(13-8-9-13)21(18)23(29)28-20-7-2-1-4-17(20)22(27-28)16-11-10-14(24(30)31)12-19(16)26/h3,5-6,10-13H,1-2,4,7-9H2,(H,30,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359600
PNG
(US10221142, Example 31A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)NC(=O)C2CCC2)c(F)c1
Show InChI InChI=1S/C30H26ClF4N3O4/c31-21-6-2-5-20(29(11-12-29)30(33,34)35)24(21)27(40)38-23-14-17(36-26(39)15-3-1-4-15)8-10-19(23)25(37-38)18-9-7-16(28(41)42)13-22(18)32/h2,5-7,9,13,15,17H,1,3-4,8,10-12,14H2,(H,36,39)(H,41,42)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359502
PNG
(4-(6-(azetidine-1-carbonyl)-1- (2-chloro-6- cyclop...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3CC(CCc23)C(=O)N2CCC2)c(F)c1
Show InChI InChI=1S/C28H25ClFN3O4/c29-21-4-1-3-18(15-5-6-15)24(21)27(35)33-23-14-16(26(34)32-11-2-12-32)7-10-20(23)25(31-33)19-9-8-17(28(36)37)13-22(19)30/h1,3-4,8-9,13,15-16H,2,5-7,10-12,14H2,(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359495
PNG
(4-(1-(2-chloro-6- cyclobutylbenzoyl)-4,5,6,7- tetr...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CCC3)c3CCCCc23)c(F)c1
Show InChI InChI=1S/C25H22ClFN2O3/c26-19-9-4-8-16(14-5-3-6-14)22(19)24(30)29-21-10-2-1-7-18(21)23(28-29)17-12-11-15(25(31)32)13-20(17)27/h4,8-9,11-14H,1-3,5-7,10H2,(H,31,32)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359549
PNG
(4-{(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(C(O)=O)c(c1)C(F)(F)F)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H26ClF6N3O5/c1-46-17-13-40(14-17)26(42)16-6-8-19-23(12-16)41(39-25(19)15-5-7-18(28(44)45)21(11-15)30(33,34)35)27(43)24-20(3-2-4-22(24)32)29(9-10-29)31(36,37)38/h2-5,7,11,16-17H,6,8-10,12-14H2,1H3,(H,44,45)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359606
PNG
(US10221142, Example 37A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)F)c3CCCOc23)c(F)c1
Show InChI InChI=1S/C24H18ClF3N2O4/c25-15-4-1-3-14(24(8-9-24)23(27)28)18(15)21(31)30-17-5-2-10-34-20(17)19(29-30)13-7-6-12(22(32)33)11-16(13)26/h1,3-4,6-7,11,23H,2,5,8-10H2,(H,32,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359581
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES CN(C)CCN(C)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H31ClF4N4O4/c1-38(2)13-14-39(3)27(41)17-7-10-20-24(16-17)40(37-26(20)19-9-8-18(29(43)44)15-23(19)33)28(42)25-21(5-4-6-22(25)32)30(11-12-30)31(34,35)36/h4-6,8-9,15,17H,7,10-14,16H2,1-3H3,(H,43,44)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359507
PNG
(4-[1-({2- chloro-6-[1- (trifluoro- methyl) cyclopr...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3COCCc23)c(F)c1
Show InChI InChI=1S/C24H17ClF4N2O4/c25-16-3-1-2-15(23(7-8-23)24(27,28)29)19(16)21(32)31-18-11-35-9-6-14(18)20(30-31)13-5-4-12(22(33)34)10-17(13)26/h1-5,10H,6-9,11H2,(H,33,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359489
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)-6- hydroxy-4...)
Show SMILES OC1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C24H20ClFN2O4/c25-18-3-1-2-15(12-4-5-12)21(18)23(30)28-20-11-14(29)7-9-17(20)22(27-28)16-8-6-13(24(31)32)10-19(16)26/h1-3,6,8,10,12,14,29H,4-5,7,9,11H2,(H,31,32)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359512
PNG
(4-(1-(2-chloro-6-(1- cyanocyclopropyl) benzoyl)-6-...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C#N
Show InChI InChI=1S/C30H26ClFN4O5/c1-41-18-13-35(14-18)27(37)16-5-8-20-24(12-16)36(34-26(20)19-7-6-17(29(39)40)11-23(19)32)28(38)25-21(3-2-4-22(25)31)30(15-33)9-10-30/h2-4,6-7,11,16,18H,5,8-10,12-14H2,1H3,(H,39,40)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359484
PNG
(US10221142, Example 1A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3CCCCc23)c(F)c1
Show InChI InChI=1S/C22H15ClF4N2O3/c23-15-6-3-5-14(22(25,26)27)18(15)20(30)29-17-7-2-1-4-13(17)19(28-29)12-9-8-11(21(31)32)10-16(12)24/h3,5-6,8-10H,1-2,4,7H2,(H,31,32)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359516
PNG
(4-(1-(2-chloro-6-(1- cyanocyclobutyl) benzoyl)-6-(...)
Show SMILES CN1CCN(CC1=O)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CCC1)C#N
Show InChI InChI=1S/C32H29ClFN5O5/c1-37-12-13-38(16-26(37)40)29(41)18-6-9-21-25(15-18)39(36-28(21)20-8-7-19(31(43)44)14-24(20)34)30(42)27-22(4-2-5-23(27)33)32(17-35)10-3-11-32/h2,4-5,7-8,14,18H,3,6,9-13,15-16H2,1H3,(H,43,44)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359604
PNG
(US10221142, Example 35A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CCCS(=O)(=O)c23)c(F)c1
Show InChI InChI=1S/C24H17ClF4N2O5S/c25-15-4-1-3-14(23(8-9-23)24(27,28)29)18(15)21(32)31-17-5-2-10-37(35,36)20(17)19(30-31)13-7-6-12(22(33)34)11-16(13)26/h1,3-4,6-7,11H,2,5,8-10H2,(H,33,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359580
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES CN(C)CCNC(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C30H29ClF4N4O4/c1-38(2)13-12-36-26(40)16-6-9-19-23(15-16)39(37-25(19)18-8-7-17(28(42)43)14-22(18)32)27(41)24-20(4-3-5-21(24)31)29(10-11-29)30(33,34)35/h3-5,7-8,14,16H,6,9-13,15H2,1-2H3,(H,36,40)(H,42,43)
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n/an/a 4.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359598
PNG
(US10221142, Example 29A)
Show SMILES COC1CN(C1)C(=O)NC1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C30H27ClF4N4O5/c1-44-17-13-38(14-17)28(43)36-16-6-8-19-23(12-16)39(37-25(19)18-7-5-15(27(41)42)11-22(18)32)26(40)24-20(3-2-4-21(24)31)29(9-10-29)30(33,34)35/h2-5,7,11,16-17H,6,8-10,12-14H2,1H3,(H,36,43)(H,41,42)
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n/an/a 5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359518
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)- 6-(3- metho...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(C(O)=O)c(C)c1)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H30ClN3O5/c1-16-12-18(8-10-21(16)30(37)38)27-23-11-9-19(28(35)33-14-20(15-33)39-2)13-25(23)34(32-27)29(36)26-22(17-6-7-17)4-3-5-24(26)31/h3-5,8,10,12,17,19-20H,6-7,9,11,13-15H2,1-2H3,(H,37,38)
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n/an/a 5.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359503
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)-6- (methylca...)
Show SMILES CNC(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C26H23ClFN3O4/c1-29-24(32)14-7-10-18-21(12-14)31(25(33)22-16(13-5-6-13)3-2-4-19(22)27)30-23(18)17-9-8-15(26(34)35)11-20(17)28/h2-4,8-9,11,13-14H,5-7,10,12H2,1H3,(H,29,32)(H,34,35)
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n/an/a 5.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359595
PNG
(US10221142, Example 27A | US10221142, Example 27B)
Show SMILES COC1CN(C1)C(=O)C1CNc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C28H26ClFN4O5/c1-39-17-12-33(13-17)26(35)16-10-22-25(31-11-16)24(19-8-7-15(28(37)38)9-21(19)30)32-34(22)27(36)23-18(14-5-6-14)3-2-4-20(23)29/h2-4,7-9,14,16-17,31H,5-6,10-13H2,1H3,(H,37,38)
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n/an/a 6.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359553
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
Show SMILES CN(Cc1nccn1C)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C32H28ClF4N5O4/c1-40-13-12-38-25(40)16-41(2)28(43)17-6-9-20-24(15-17)42(39-27(20)19-8-7-18(30(45)46)14-23(19)34)29(44)26-21(4-3-5-22(26)33)31(10-11-31)32(35,36)37/h3-5,7-8,12-14,17H,6,9-11,15-16H2,1-2H3,(H,45,46)
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n/an/a 7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359514
PNG
(4-(1-(2-chloro-6-(1- cyanocyclobutyl) benzoyl)-6-(...)
Show SMILES CS(=O)(=O)C1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CCC1)C#N
Show InChI InChI=1S/C31H28ClFN4O6S/c1-44(42,43)19-14-36(15-19)28(38)17-6-9-21-25(13-17)37(35-27(21)20-8-7-18(30(40)41)12-24(20)33)29(39)26-22(4-2-5-23(26)32)31(16-34)10-3-11-31/h2,4-5,7-8,12,17,19H,3,6,9-11,13-15H2,1H3,(H,40,41)
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n/an/a 7.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359493
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)-6-oxo- 4,5,6...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3CC(=O)CCc23)c(F)c1
Show InChI InChI=1S/C24H18ClFN2O4/c25-18-3-1-2-15(12-4-5-12)21(18)23(30)28-20-11-14(29)7-9-17(20)22(27-28)16-8-6-13(24(31)32)10-19(16)26/h1-3,6,8,10,12H,4-5,7,9,11H2,(H,31,32)
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n/an/a 9.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359491
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)-4-oxo- 4,5,6...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3CCCC(=O)c23)c(F)c1
Show InChI InChI=1S/C24H18ClFN2O4/c25-16-4-1-3-14(12-7-8-12)20(16)23(30)28-18-5-2-6-19(29)21(18)22(27-28)15-10-9-13(24(31)32)11-17(15)26/h1,3-4,9-12H,2,5-8H2,(H,31,32)
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n/an/a 12.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359592
PNG
(US10221142, Example 25A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3CCCNc23)c(F)c1
Show InChI InChI=1S/C23H19ClFN3O3/c24-16-4-1-3-14(12-6-7-12)19(16)22(29)28-18-5-2-10-26-21(18)20(27-28)15-9-8-13(23(30)31)11-17(15)25/h1,3-4,8-9,11-12,26H,2,5-7,10H2,(H,30,31)
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n/an/a 13n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359496
PNG
(4-(1-(2,6-dichlorobenzoyl)- 4,5,6,7-tetrahydro-1H-...)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2Cl)c2CCCCc12
Show InChI InChI=1S/C21H16Cl2N2O3/c22-15-5-3-6-16(23)18(15)20(26)25-17-7-2-1-4-14(17)19(24-25)12-8-10-13(11-9-12)21(27)28/h3,5-6,8-11H,1-2,4,7H2,(H,27,28)
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n/an/a 13.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359523
PNG
(US10221142, Example 18A)
Show SMILES CN(C)C(=O)N1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C27H23ClF4N4O4/c1-34(2)25(40)35-11-8-16-20(13-35)36(33-22(16)15-7-6-14(24(38)39)12-19(15)29)23(37)21-17(4-3-5-18(21)28)26(9-10-26)27(30,31)32/h3-7,12H,8-11,13H2,1-2H3,(H,38,39)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359492
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)-6- methoxy-4...)
Show SMILES COC1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C25H22ClFN2O4/c1-33-15-8-10-18-21(12-15)29(24(30)22-16(13-5-6-13)3-2-4-19(22)26)28-23(18)17-9-7-14(25(31)32)11-20(17)27/h2-4,7,9,11,13,15H,5-6,8,10,12H2,1H3,(H,31,32)
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n/an/a 17.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359533
PNG
(US10221142, Example 20A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CNCCc23)c(F)c1
Show InChI InChI=1S/C24H18ClF4N3O3/c25-16-3-1-2-15(23(7-8-23)24(27,28)29)19(16)21(33)32-18-11-30-9-6-14(18)20(31-32)13-5-4-12(22(34)35)10-17(13)26/h1-5,10,30H,6-9,11H2,(H,34,35)
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n/an/a 21n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359593
PNG
(4-[1-({2-chloro-6-[1- (trifluoromethyl)cyclo- prop...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CCCNc23)c(F)c1
Show InChI InChI=1S/C24H18ClF4N3O3/c25-15-4-1-3-14(23(8-9-23)24(27,28)29)18(15)21(33)32-17-5-2-10-30-20(17)19(31-32)13-7-6-12(22(34)35)11-16(13)26/h1,3-4,6-7,11,30H,2,5,8-10H2,(H,34,35)
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n/an/a 21n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359485
PNG
(4-(1-(2-chloro-6- (trifluoromethyl)benzoyl)- 1,4,5...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3CCCc23)c(F)c1
Show InChI InChI=1S/C21H13ClF4N2O3/c22-14-5-2-4-13(21(24,25)26)17(14)19(29)28-16-6-1-3-12(16)18(27-28)11-8-7-10(20(30)31)9-15(11)23/h2,4-5,7-9H,1,3,6H2,(H,30,31)
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n/an/a 21.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359494
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)- 1,4,5,6,7,8...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3CCCCCc23)c(F)c1
Show InChI InChI=1S/C25H22ClFN2O3/c26-19-7-4-6-16(14-9-10-14)22(19)24(30)29-21-8-3-1-2-5-18(21)23(28-29)17-12-11-15(25(31)32)13-20(17)27/h4,6-7,11-14H,1-3,5,8-10H2,(H,31,32)
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n/an/a 21.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359526
PNG
(US10221142, Example 18D)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CN(CCc23)C(=O)N2CCCC2)c(F)c1
Show InChI InChI=1S/C29H25ClF4N4O4/c30-20-5-3-4-19(28(9-10-28)29(32,33)34)23(20)25(39)38-22-15-37(27(42)36-11-1-2-12-36)13-8-18(22)24(35-38)17-7-6-16(26(40)41)14-21(17)31/h3-7,14H,1-2,8-13,15H2,(H,40,41)
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n/an/a 23n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359534
PNG
(4-{1-[(2-chloro-6- cyclopropylphenyl)car bonyl]-4,...)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3CNCCc23)c(F)c1
Show InChI InChI=1S/C23H19ClFN3O3/c24-17-3-1-2-14(12-4-5-12)20(17)22(29)28-19-11-26-9-8-16(19)21(27-28)15-7-6-13(23(30)31)10-18(15)25/h1-3,6-7,10,12,26H,4-5,8-9,11H2,(H,30,31)
PDB

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n/an/a 28n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359583
PNG
((R or S)-4-(1-(2- chloro-6- cyclopropylbenzoyl)- 6...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1C(F)(F)F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C30H27ClF3N3O5/c1-42-18-13-36(14-18)27(38)16-7-10-21-24(12-16)37(28(39)25-19(15-5-6-15)3-2-4-23(25)31)35-26(21)20-9-8-17(29(40)41)11-22(20)30(32,33)34/h2-4,8-9,11,15-16,18H,5-7,10,12-14H2,1H3,(H,40,41)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359524
PNG
(US10221142, Example 18B)
Show SMILES CCN(C)C(=O)N1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C28H25ClF4N4O4/c1-3-35(2)26(41)36-12-9-17-21(14-36)37(34-23(17)16-8-7-15(25(39)40)13-20(16)30)24(38)22-18(5-4-6-19(22)29)27(10-11-27)28(31,32)33/h4-8,13H,3,9-12,14H2,1-2H3,(H,39,40)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359499
PNG
(US10221142, Example 4A)
Show SMILES OC(=O)c1ccc(-c2nn(Cc3c(Cl)cccc3C(F)(F)F)c3CCCCc23)c(F)c1
Show InChI InChI=1S/C22H17ClF4N2O2/c23-17-6-3-5-16(22(25,26)27)15(17)11-29-19-7-2-1-4-14(19)20(28-29)13-9-8-12(21(30)31)10-18(13)24/h3,5-6,8-10H,1-2,4,7,11H2,(H,30,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359594
PNG
(US10221142, Example 26A)
Show SMILES CN1CCCc2c1c(nn2C(=O)c1c(Cl)cccc1C1CC1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C24H21ClFN3O3/c1-28-11-3-6-19-22(28)21(16-10-9-14(24(31)32)12-18(16)26)27-29(19)23(30)20-15(13-7-8-13)4-2-5-17(20)25/h2,4-5,9-10,12-13H,3,6-8,11H2,1H3,(H,31,32)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359590
PNG
(US10221142, Example 23A)
Show SMILES CC(C)(C)OC(=O)NC1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C29H29ClFN3O5/c1-29(2,3)39-28(38)32-17-10-12-20-23(14-17)34(26(35)24-18(15-7-8-15)5-4-6-21(24)30)33-25(20)19-11-9-16(27(36)37)13-22(19)31/h4-6,9,11,13,15,17H,7-8,10,12,14H2,1-3H3,(H,32,38)(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359603
PNG
(US10221142, Example 34A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CCCS(=O)c23)c(F)c1
Show InChI InChI=1S/C24H17ClF4N2O4S/c25-15-4-1-3-14(23(8-9-23)24(27,28)29)18(15)21(32)31-17-5-2-10-36(35)20(17)19(30-31)13-7-6-12(22(33)34)11-16(13)26/h1,3-4,6-7,11H,2,5,8-10H2,(H,33,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359599
PNG
(US10221142, Example 30A)
Show SMILES COC1CN(C1)C(=O)N(C)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C31H29ClF4N4O5/c1-38(29(44)39-14-18(15-39)45-2)17-7-9-20-24(13-17)40(37-26(20)19-8-6-16(28(42)43)12-23(19)33)27(41)25-21(4-3-5-22(25)32)30(10-11-30)31(34,35)36/h3-6,8,12,17-18H,7,9-11,13-15H2,1-2H3,(H,42,43)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359527
PNG
(US10221142, Example 18E)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CN(CCc23)C(=O)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C29H25ClF4N4O5/c30-20-3-1-2-19(28(7-8-28)29(32,33)34)23(20)25(39)38-22-15-37(27(42)36-10-12-43-13-11-36)9-6-18(22)24(35-38)17-5-4-16(26(40)41)14-21(17)31/h1-5,14H,6-13,15H2,(H,40,41)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359505
PNG
(US10221142, Example 8A)
Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CCOCc12
Show InChI InChI=1S/C23H19ClN2O4/c24-18-3-1-2-16(13-4-5-13)20(18)22(27)26-19-10-11-30-12-17(19)21(25-26)14-6-8-15(9-7-14)23(28)29/h1-3,6-9,13H,4-5,10-12H2,(H,28,29)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359510
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)- 6-(3- metho...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C29H27ClFN3O5/c1-39-18-13-33(14-18)27(35)16-7-10-21-24(12-16)34(28(36)25-19(15-5-6-15)3-2-4-22(25)30)32-26(21)20-9-8-17(29(37)38)11-23(20)31/h2-4,8-9,11,15-16,18H,5-7,10,12-14H2,1H3,(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359532
PNG
(US10221142, Example 19C)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CN(CC4CC4)CCc23)c(F)c1
Show InChI InChI=1S/C28H24ClF4N3O3/c29-20-3-1-2-19(27(9-10-27)28(31,32)33)23(20)25(37)36-22-14-35(13-15-4-5-15)11-8-18(22)24(34-36)17-7-6-16(26(38)39)12-21(17)30/h1-3,6-7,12,15H,4-5,8-11,13-14H2,(H,38,39)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359595
PNG
(US10221142, Example 27A | US10221142, Example 27B)
Show SMILES COC1CN(C1)C(=O)C1CNc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C28H26ClFN4O5/c1-39-17-12-33(13-17)26(35)16-10-22-25(31-11-16)24(19-8-7-15(28(37)38)9-21(19)30)32-34(22)27(36)23-18(14-5-6-14)3-2-4-20(23)29/h2-4,7-9,14,16-17,31H,5-6,10-13H2,1H3,(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359500
PNG
(US10221142, Example 5A)
Show SMILES OC(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C25H20ClFN2O5/c26-18-3-1-2-15(12-4-5-12)21(18)23(30)29-20-11-14(25(33)34)7-9-17(20)22(28-29)16-8-6-13(24(31)32)10-19(16)27/h1-3,6,8,10,12,14H,4-5,7,9,11H2,(H,31,32)(H,33,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359528
PNG
(US10221142, Example 18F)
Show SMILES CN1CCN(CC1)C(=O)N1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C30H28ClF4N5O4/c1-37-11-13-38(14-12-37)28(44)39-10-7-19-23(16-39)40(36-25(19)18-6-5-17(27(42)43)15-22(18)32)26(41)24-20(3-2-4-21(24)31)29(8-9-29)30(33,34)35/h2-6,15H,7-14,16H2,1H3,(H,42,43)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359591
PNG
(US10221142, Example 24A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3CC(CCc23)NCC(F)(F)F)c(F)c1
Show InChI InChI=1S/C26H22ClF4N3O3/c27-19-3-1-2-16(13-4-5-13)22(19)24(35)34-21-11-15(32-12-26(29,30)31)7-9-18(21)23(33-34)17-8-6-14(25(36)37)10-20(17)28/h1-3,6,8,10,13,15,32H,4-5,7,9,11-12H2,(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359597
PNG
(US10221142, Example 28A)
Show SMILES Cn1cc(COC2CCc3c(C2)n(nc3-c2ccc(cc2F)C(O)=O)C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)cn1
Show InChI InChI=1S/C30H25ClF4N4O4/c1-38-14-16(13-36-38)15-43-18-6-8-20-24(12-18)39(37-26(20)19-7-5-17(28(41)42)11-23(19)32)27(40)25-21(3-2-4-22(25)31)29(9-10-29)30(33,34)35/h2-5,7,11,13-14,18H,6,8-10,12,15H2,1H3,(H,41,42)
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359519
PNG
(US10221142, Example 17A)
Show SMILES COC(=O)N1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C26H20ClF4N3O5/c1-39-24(38)33-10-7-15-19(12-33)34(32-21(15)14-6-5-13(23(36)37)11-18(14)28)22(35)20-16(3-2-4-17(20)27)25(8-9-25)26(29,30)31/h2-6,11H,7-10,12H2,1H3,(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359509
PNG
(US10221142, Example 11A)
Show SMILES COC(=O)N1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C25H21ClFN3O5/c1-35-25(34)29-10-9-17-20(12-29)30(23(31)21-15(13-5-6-13)3-2-4-18(21)26)28-22(17)16-8-7-14(24(32)33)11-19(16)27/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,32,33)
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359530
PNG
(US10221142, Example 19A)
Show SMILES CN1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C25H20ClF4N3O3/c1-32-10-7-15-19(12-32)33(31-21(15)14-6-5-13(23(35)36)11-18(14)27)22(34)20-16(3-2-4-17(20)26)24(8-9-24)25(28,29)30/h2-6,11H,7-10,12H2,1H3,(H,35,36)
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359522
PNG
(US10221142, Example 17D)
Show SMILES CC(C)(C)OC(=O)N1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C29H26ClF4N3O5/c1-27(2,3)42-26(41)36-12-9-17-21(14-36)37(35-23(17)16-8-7-15(25(39)40)13-20(16)31)24(38)22-18(5-4-6-19(22)30)28(10-11-28)29(32,33)34/h4-8,13H,9-12,14H2,1-3H3,(H,39,40)
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n/an/a 235n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359514
PNG
(4-(1-(2-chloro-6-(1- cyanocyclobutyl) benzoyl)-6-(...)
Show SMILES CS(=O)(=O)C1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CCC1)C#N
Show InChI InChI=1S/C31H28ClFN4O6S/c1-44(42,43)19-14-36(15-19)28(38)17-6-9-21-25(13-17)37(35-27(21)20-8-7-18(30(40)41)12-24(20)33)29(39)26-22(4-2-5-23(26)32)31(16-34)10-3-11-31/h2,4-5,7-8,12,17,19H,3,6,9-11,13-15H2,1H3,(H,40,41)
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n/an/a 294n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359589
PNG
(US10221142, Example 22A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3CC(CCc23)NC2COC2)c(F)c1
Show InChI InChI=1S/C27H25ClFN3O4/c28-21-3-1-2-18(14-4-5-14)24(21)26(33)32-23-11-16(30-17-12-36-13-17)7-9-20(23)25(31-32)19-8-6-15(27(34)35)10-22(19)29/h1-3,6,8,10,14,16-17,30H,4-5,7,9,11-13H2,(H,34,35)
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n/an/a 332n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359525
PNG
(US10221142, Example 18C)
Show SMILES CN(C(=O)N1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C32H25ClF4N4O4/c1-39(19-6-3-2-4-7-19)30(45)40-15-12-21-25(17-40)41(38-27(21)20-11-10-18(29(43)44)16-24(20)34)28(42)26-22(8-5-9-23(26)33)31(13-14-31)32(35,36)37/h2-11,16H,12-15,17H2,1H3,(H,43,44)
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n/an/a 606n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359508
PNG
(US10221142, Example 10A)
Show SMILES CC(=O)N1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C25H21ClFN3O4/c1-13(31)29-10-9-18-21(12-29)30(24(32)22-16(14-5-6-14)3-2-4-19(22)26)28-23(18)17-8-7-15(25(33)34)11-20(17)27/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3,(H,33,34)
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n/an/a 622n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359516
PNG
(4-(1-(2-chloro-6-(1- cyanocyclobutyl) benzoyl)-6-(...)
Show SMILES CN1CCN(CC1=O)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CCC1)C#N
Show InChI InChI=1S/C32H29ClFN5O5/c1-37-12-13-38(16-26(37)40)29(41)18-6-9-21-25(15-18)39(36-28(21)20-8-7-19(31(43)44)14-24(20)34)30(42)27-22(4-2-5-23(27)33)32(17-35)10-3-11-32/h2,4-5,7-8,14,18H,3,6,9-13,15-16H2,1H3,(H,43,44)
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n/an/a 625n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359521
PNG
(US10221142, Example 17C)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CN(CCc23)C(=O)OCC2CC2)c(F)c1
Show InChI InChI=1S/C29H24ClF4N3O5/c30-20-3-1-2-19(28(9-10-28)29(32,33)34)23(20)25(38)37-22-13-36(27(41)42-14-15-4-5-15)11-8-18(22)24(35-37)17-7-6-16(26(39)40)12-21(17)31/h1-3,6-7,12,15H,4-5,8-11,13-14H2,(H,39,40)
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n/an/a 642n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359512
PNG
(4-(1-(2-chloro-6-(1- cyanocyclopropyl) benzoyl)-6-...)
Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C#N
Show InChI InChI=1S/C30H26ClFN4O5/c1-41-18-13-35(14-18)27(37)16-5-8-20-24(12-16)36(34-26(20)19-7-6-17(29(39)40)11-23(19)32)28(38)25-21(3-2-4-22(25)31)30(15-33)9-10-30/h2-4,6-7,11,16,18H,5,8-10,12-14H2,1H3,(H,39,40)
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n/an/a 642n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359498
PNG
(US10221142, Example 3A)
Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3CCNCCc23)c(F)c1
Show InChI InChI=1S/C22H16ClF4N3O3/c23-15-3-1-2-14(22(25,26)27)18(15)20(31)30-17-7-9-28-8-6-13(17)19(29-30)12-5-4-11(21(32)33)10-16(12)24/h1-5,10,28H,6-9H2,(H,32,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359531
PNG
(US10221142, Example 19B)
Show SMILES CC(C)N1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C27H24ClF4N3O3/c1-14(2)34-11-8-17-21(13-34)35(33-23(17)16-7-6-15(25(37)38)12-20(16)29)24(36)22-18(4-3-5-19(22)28)26(9-10-26)27(30,31)32/h3-7,12,14H,8-11,13H2,1-2H3,(H,37,38)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359529
PNG
(US10221142, Example 18G)
Show SMILES CC(C)(C)NC(=O)N1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C29H27ClF4N4O4/c1-27(2,3)35-26(42)37-12-9-17-21(14-37)38(36-23(17)16-8-7-15(25(40)41)13-20(16)31)24(39)22-18(5-4-6-19(22)30)28(10-11-28)29(32,33)34/h4-8,13H,9-12,14H2,1-3H3,(H,35,42)(H,40,41)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359520
PNG
(US10221142, Example 17B)
Show SMILES CC1(CC1)OC(=O)N1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F
Show InChI InChI=1S/C29H24ClF4N3O5/c1-27(8-9-27)42-26(41)36-12-7-17-21(14-36)37(35-23(17)16-6-5-15(25(39)40)13-20(16)31)24(38)22-18(3-2-4-19(22)30)28(10-11-28)29(32,33)34/h2-6,13H,7-12,14H2,1H3,(H,39,40)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359504
PNG
(US10221142, Example 7A)
Show SMILES CC(C)(C)OC(=O)N1CCCc2c1c(nn2C(=O)c1c(Cl)cccc1C1CC1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C28H27ClFN3O5/c1-28(2,3)38-27(37)32-13-5-8-21-24(32)23(18-12-11-16(26(35)36)14-20(18)30)31-33(21)25(34)22-17(15-9-10-15)6-4-7-19(22)29/h4,6-7,11-12,14-15H,5,8-10,13H2,1-3H3,(H,35,36)
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n/an/a 2.93E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359605
PNG
(US10221142, Example 36A)
Show SMILES CN1CCCc2c(nn(C(=O)c3c(Cl)cccc3Cl)c12)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C21H16Cl2FN3O3/c1-26-9-3-4-13-18(12-8-7-11(21(29)30)10-16(12)24)25-27(19(13)26)20(28)17-14(22)5-2-6-15(17)23/h2,5-8,10H,3-4,9H2,1H3,(H,29,30)
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359490
PNG
(4-(6-(tert-butoxycarbonyl)-1-(2- chloro-6-cyclopro...)
Show SMILES CC(C)(C)OC(=O)N1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1CC1
Show InChI InChI=1S/C28H27ClFN3O5/c1-28(2,3)38-27(37)32-12-11-19-22(14-32)33(25(34)23-17(15-7-8-15)5-4-6-20(23)29)31-24(19)18-10-9-16(26(35)36)13-21(18)30/h4-6,9-10,13,15H,7-8,11-12,14H2,1-3H3,(H,35,36)
PDB

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n/an/a 6.73E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM359486
PNG
(4-(6-(tert-butoxycarbonyl)-1-(2- chloro-6- (triflu...)
Show SMILES CC(C)(C)OC(=O)N1CCc2c(CC1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1S/C27H24ClF4N3O5/c1-26(2,3)40-25(39)34-11-9-16-20(10-12-34)35(23(36)21-17(27(30,31)32)5-4-6-18(21)28)33-22(16)15-8-7-14(24(37)38)13-19(15)29/h4-8,13H,9-12H2,1-3H3,(H,37,38)
PDB

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n/an/a 7.93E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...

US Patent US10221142 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BZ0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%