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Patent code US11008312

Compile Data Set for Download or QSAR

Found 373 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM497901
PNG
(6'-amino-6-((5R,8S)-3-(2,6- difluorophenyl)-9,9-di...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnc(N)c(c1)C#N
Show InChI InChI=1S/C28H22F2N6/c1-27(2)18-9-10-28(27,23-8-4-7-21(34-23)16-11-15(13-31)26(32)33-14-16)25-17(18)12-22(35-36-25)24-19(29)5-3-6-20(24)30/h3-8,11-12,14,18H,9-10H2,1-2H3,(H2,32,33)/t18-,28-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497661
PNG
((1S,8R)-5-(2,6-difluorophenyl)-11,11- dimethyl-1-[...)
Show SMILES Cc1n[nH]cc1-c1cccc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
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n/an/a 2.70n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497898
PNG
(2-amino-5-(4-((5R,8S)-3-(2,6- difluorophenyl)-9,9-...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1ccnc(n1)-c1cnc(N)c(c1)C#N
Show InChI InChI=1S/C27H21F2N7/c1-26(2)17-6-8-27(26,21-7-9-32-25(34-21)15-10-14(12-30)24(31)33-13-15)23-16(17)11-20(35-36-23)22-18(28)4-3-5-19(22)29/h3-5,7,9-11,13,17H,6,8H2,1-2H3,(H2,31,33)/t17-,27-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497518
PNG
(3-[4-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1ccnc(n1)-c1cnn(CCC#N)c1
Show InChI InChI=1S/C27H23F2N7/c1-26(2)18-7-9-27(26,22-8-11-31-25(33-22)16-14-32-36(15-16)12-4-10-30)24-17(18)13-21(34-35-24)23-19(28)5-3-6-20(23)29/h3,5-6,8,11,13-15,18H,4,7,9,12H2,1-2H3/t18-,27-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497573
PNG
((2S)-1-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...)
Show SMILES C[C@@H](O)Cn1cc(cn1)-c1cccc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C28H27F2N5O/c1-16(36)14-35-15-17(13-31-35)22-8-5-9-24(32-22)28-11-10-19(27(28,2)3)18-12-23(33-34-26(18)28)25-20(29)6-4-7-21(25)30/h4-9,12-13,15-16,19,36H,10-11,14H2,1-3H3/t16-,19+,28+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497648
PNG
(N-[[5-[6-[(1R,8R)-5-(2,6-difluorophenyl)- 11,11-di...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1ccc(CNS(C)(=O)=O)nc1
Show InChI InChI=1S/C28H26F2N6O2S/c1-27(2)19-9-10-28(27,26-18(19)11-22(35-36-26)25-20(29)5-4-6-21(25)30)24-15-31-14-23(34-24)16-7-8-17(32-12-16)13-33-39(3,37)38/h4-8,11-12,14-15,19,33H,9-10,13H2,1-3H3/t19-,28-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497855
PNG
((5R,8S)-8-(6-(3-(difluoromethyl)-1H- 1,2,4-triazol...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-n1cnc(n1)C(F)F
Show InChI InChI=1S/C25H20F4N6/c1-24(2)14-9-10-25(24,18-7-4-8-19(31-18)35-12-30-23(34-35)22(28)29)21-13(14)11-17(32-33-21)20-15(26)5-3-6-16(20)27/h3-8,11-12,14,22H,9-10H2,1-2H3/t14-,25-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497574
PNG
((1S,8R)-5-(2,6-difluorophenyl)-11,11- dimethyl-1-[...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnn(CCS(C)(=O)=O)c1
Show InChI InChI=1S/C28H27F2N5O2S/c1-27(2)19-10-11-28(27,26-18(19)14-23(33-34-26)25-20(29)6-4-7-21(25)30)24-9-5-8-22(32-24)17-15-31-35(16-17)12-13-38(3,36)37/h4-9,14-16,19H,10-13H2,1-3H3/t19-,28-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497658
PNG
(2-[4-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnn(CC(N)=O)c1
Show InChI InChI=1S/C27H24F2N6O/c1-26(2)17-9-10-27(26,22-8-4-7-20(32-22)15-12-31-35(13-15)14-23(30)36)25-16(17)11-21(33-34-25)24-18(28)5-3-6-19(24)29/h3-8,11-13,17H,9-10,14H2,1-2H3,(H2,30,36)/t17-,27-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497586
PNG
(3-[4-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnn(CCC#N)c1
Show InChI InChI=1S/C28H24F2N6/c1-27(2)19-10-11-28(27,24-9-4-8-22(33-24)17-15-32-36(16-17)13-5-12-31)26-18(19)14-23(34-35-26)25-20(29)6-3-7-21(25)30/h3-4,6-9,14-16,19H,5,10-11,13H2,1-2H3/t19-,28-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497527
PNG
(2-methyl-2-[2-[6-[(1S,8R)-5-(2,6- difluorophenyl)-...)
Show SMILES CC(C)(C#N)c1coc(n1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C28H24F2N6O/c1-26(2,14-31)22-13-37-25(34-22)20-11-32-12-21(33-20)28-9-8-16(27(28,3)4)15-10-19(35-36-24(15)28)23-17(29)6-5-7-18(23)30/h5-7,10-13,16H,8-9H2,1-4H3/t16-,28-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497572
PNG
((2R)-1-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...)
Show SMILES C[C@H](O)Cn1cc(cn1)-c1cccc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C28H27F2N5O/c1-16(36)14-35-15-17(13-31-35)22-8-5-9-24(32-22)28-11-10-19(27(28,2)3)18-12-23(33-34-26(18)28)25-20(29)6-4-7-21(25)30/h4-9,12-13,15-16,19,36H,10-11,14H2,1-3H3/t16-,19-,28-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497726
PNG
((2R)-1-[[5-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,...)
Show SMILES C[C@H](O)CNc1ncc(cn1)-c1cccc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C29H28F2N6O/c1-16(38)13-32-27-33-14-17(15-34-27)22-8-5-9-24(35-22)29-11-10-19(28(29,2)3)18-12-23(36-37-26(18)29)25-20(30)6-4-7-21(25)31/h4-9,12,14-16,19,38H,10-11,13H2,1-3H3,(H,32,33,34)/t16-,19-,29-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497519
PNG
((2R)-1-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...)
Show SMILES C[C@H](O)Cn1cc(cn1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C27H26F2N6O/c1-15(36)13-35-14-16(10-31-35)22-11-30-12-23(32-22)27-8-7-18(26(27,2)3)17-9-21(33-34-25(17)27)24-19(28)5-4-6-20(24)29/h4-6,9-12,14-15,18,36H,7-8,13H2,1-3H3/t15-,18-,27-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497662
PNG
((1S,8R)-5-(2,6-difluorophenyl)-11,11- dimethyl-1-[...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1cnn(CS(C)(=O)=O)c1
Show InChI InChI=1S/C26H24F2N6O2S/c1-25(2)17-7-8-26(25,24-16(17)9-20(32-33-24)23-18(27)5-4-6-19(23)28)22-12-29-11-21(31-22)15-10-30-34(13-15)14-37(3,35)36/h4-6,9-13,17H,7-8,14H2,1-3H3/t17-,26-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497657
PNG
((2R)-2-methyl-3-[4-[6-[(1S,8R)-5-(2,6- difluorophe...)
Show SMILES C[C@@H](Cn1cc(cn1)-c1cccc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(N)=O
Show InChI InChI=1S/C29H28F2N6O/c1-16(27(32)38)14-37-15-17(13-33-37)22-8-5-9-24(34-22)29-11-10-19(28(29,2)3)18-12-23(35-36-26(18)29)25-20(30)6-4-7-21(25)31/h4-9,12-13,15-16,19H,10-11,14H2,1-3H3,(H2,32,38)/t16-,19-,29-/m0/s1
PDB

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n/an/a 4.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497655
PNG
(N-[5-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnc(NS(C)(=O)=O)nc1
Show InChI InChI=1S/C27H24F2N6O2S/c1-26(2)17-10-11-27(26,24-16(17)12-21(33-34-24)23-18(28)6-4-7-19(23)29)22-9-5-8-20(32-22)15-13-30-25(31-14-15)35-38(3,36)37/h4-9,12-14,17H,10-11H2,1-3H3,(H,30,31,35)/t17-,27-/m0/s1
PDB

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n/an/a 4.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497554
PNG
((1S,8R)-5-(2,6-difluorophenyl)-1-[6-[1-(2- ethylsu...)
Show SMILES CCS(=O)(=O)CCn1cc(cn1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C28H28F2N6O2S/c1-4-39(37,38)11-10-36-16-17(13-32-36)23-14-31-15-24(33-23)28-9-8-19(27(28,2)3)18-12-22(34-35-26(18)28)25-20(29)6-5-7-21(25)30/h5-7,12-16,19H,4,8-11H2,1-3H3/t19-,28-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497656
PNG
((2S)-2-methyl-3-[4-[6-[(1S,8R)-5-(2,6- difluorophe...)
Show SMILES C[C@H](Cn1cc(cn1)-c1cccc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(N)=O
Show InChI InChI=1S/C29H28F2N6O/c1-16(27(32)38)14-37-15-17(13-33-37)22-8-5-9-24(34-22)29-11-10-19(28(29,2)3)18-12-23(35-36-26(18)29)25-20(30)6-4-7-21(25)31/h4-9,12-13,15-16,19H,10-11,14H2,1-3H3,(H2,32,38)/t16-,19+,29+/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497559
PNG
((2S)-1-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...)
Show SMILES CC[C@@H](O)Cn1cc(cn1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C28H28F2N6O/c1-4-17(37)15-36-14-16(11-32-36)23-12-31-13-24(33-23)28-9-8-19(27(28,2)3)18-10-22(34-35-26(18)28)25-20(29)6-5-7-21(25)30/h5-7,10-14,17,19,37H,4,8-9,15H2,1-3H3/t17-,19+,28+/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497561
PNG
((2R)-1-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...)
Show SMILES CC[C@H](O)Cn1cc(cn1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C28H28F2N6O/c1-4-17(37)15-36-14-16(11-32-36)23-12-31-13-24(33-23)28-9-8-19(27(28,2)3)18-10-22(34-35-26(18)28)25-20(29)6-5-7-21(25)30/h5-7,10-14,17,19,37H,4,8-9,15H2,1-3H3/t17-,19-,28-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497587
PNG
(2-[3-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,11-...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnn(c1)C1(CC#N)COC1
Show InChI InChI=1S/C30H26F2N6O/c1-28(2)20-9-10-30(28,27-19(20)13-24(36-37-27)26-21(31)5-3-6-22(26)32)25-8-4-7-23(35-25)18-14-34-38(15-18)29(11-12-33)16-39-17-29/h3-8,13-15,20H,9-11,16-17H2,1-2H3/t20-,30-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497562
PNG
((1S,8R)-5-(2,6-difluorophenyl)-11,11- dimethyl-1-[...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1ccn(CCS(C)(=O)=O)n1
Show InChI InChI=1S/C27H26F2N6O2S/c1-26(2)17-7-9-27(26,25-16(17)13-21(32-33-25)24-18(28)5-4-6-19(24)29)23-15-30-14-22(31-23)20-8-10-35(34-20)11-12-38(3,36)37/h4-6,8,10,13-15,17H,7,9,11-12H2,1-3H3/t17-,27-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497893
PNG
(N-[6-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1ccc(NS(C)(=O)=O)nn1
Show InChI InChI=1S/C27H24F2N6O2S/c1-26(2)16-12-13-27(26,25-15(16)14-21(32-34-25)24-17(28)6-4-7-18(24)29)22-9-5-8-19(30-22)20-10-11-23(33-31-20)35-38(3,36)37/h4-11,14,16H,12-13H2,1-3H3,(H,33,35)/t16-,27-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497730
PNG
((2S)-3-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnn(C[C@H](O)C(N)=O)c1
Show InChI InChI=1S/C28H26F2N6O2/c1-27(2)17-9-10-28(27,25-16(17)11-21(34-35-25)24-18(29)5-3-6-19(24)30)23-8-4-7-20(33-23)15-12-32-36(13-15)14-22(37)26(31)38/h3-8,11-13,17,22,37H,9-10,14H2,1-2H3,(H2,31,38)/t17-,22-,28-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497869
PNG
(5-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dimeth...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnc(nc1)C(O)=O
Show InChI InChI=1S/C27H21F2N5O2/c1-26(2)16-9-10-27(26,21-8-4-7-19(32-21)14-12-30-24(25(35)36)31-13-14)23-15(16)11-20(33-34-23)22-17(28)5-3-6-18(22)29/h3-8,11-13,16H,9-10H2,1-2H3,(H,35,36)/t16-,27-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497703
PNG
(N-[[1-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-di...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-n1ccc(CNS(C)(=O)=O)n1
Show InChI InChI=1S/C26H25F2N7O2S/c1-25(2)17-7-9-26(25,24-16(17)11-20(32-33-24)23-18(27)5-4-6-19(23)28)21-13-29-14-22(31-21)35-10-8-15(34-35)12-30-38(3,36)37/h4-6,8,10-11,13-14,17,30H,7,9,12H2,1-3H3/t17-,26-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497627
PNG
((2R)-3-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1cnn(C[C@H](O)CO)c1
Show InChI InChI=1S/C27H26F2N6O2/c1-26(2)18-6-7-27(26,25-17(18)8-21(33-34-25)24-19(28)4-3-5-20(24)29)23-11-30-10-22(32-23)15-9-31-35(12-15)13-16(37)14-36/h3-5,8-12,16,18,36-37H,6-7,13-14H2,1-2H3/t16-,18-,27-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497553
PNG
(2-[[5-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-di...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1ccc(NCCO)nc1
Show InChI InChI=1S/C28H26F2N6O/c1-27(2)18-8-9-28(27,26-17(18)12-21(35-36-26)25-19(29)4-3-5-20(25)30)23-15-31-14-22(34-23)16-6-7-24(33-13-16)32-10-11-37/h3-7,12-15,18,37H,8-11H2,1-2H3,(H,32,33)/t18-,28-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497645
PNG
(3-[4-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1cnn(CCC(N)=O)c1
Show InChI InChI=1S/C27H25F2N7O/c1-26(2)17-6-8-27(26,25-16(17)10-20(34-35-25)24-18(28)4-3-5-19(24)29)22-13-31-12-21(33-22)15-11-32-36(14-15)9-7-23(30)37/h3-5,10-14,17H,6-9H2,1-2H3,(H2,30,37)/t17-,27-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497511
PNG
((1S)-2-methyl-1-[2-[6-[(1R,8R)-5-(2,6- difluorophe...)
Show SMILES CC(C)[C@@H](O)c1coc(n1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C28H27F2N5O2/c1-14(2)24(36)21-13-37-26(33-21)20-11-31-12-22(32-20)28-9-8-16(27(28,3)4)15-10-19(34-35-25(15)28)23-17(29)6-5-7-18(23)30/h5-7,10-14,16,24,36H,8-9H2,1-4H3/t16-,24+,28-/m0/s1
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Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497520
PNG
((1S,8R)-5-(2,6-difluorophenyl)-11,11- dimethyl-1-[...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1cnn(CCS(C)(=O)=O)c1
Show InChI InChI=1S/C27H26F2N6O2S/c1-26(2)18-7-8-27(26,25-17(18)11-21(33-34-25)24-19(28)5-4-6-20(24)29)23-14-30-13-22(32-23)16-12-31-35(15-16)9-10-38(3,36)37/h4-6,11-15,18H,7-10H2,1-3H3/t18-,27-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497729
PNG
((2R)-3-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnn(C[C@@H](O)C(N)=O)c1
Show InChI InChI=1S/C28H26F2N6O2/c1-27(2)17-9-10-28(27,25-16(17)11-21(34-35-25)24-18(29)5-3-6-19(24)30)23-8-4-7-20(33-23)15-12-32-36(13-15)14-22(37)26(31)38/h3-8,11-13,17,22,37H,9-10,14H2,1-2H3,(H2,31,38)/t17-,22+,28-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497894
PNG
(3-[5-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnc(nc1)C1(O)COC1
Show InChI InChI=1S/C29H25F2N5O2/c1-27(2)18-9-10-29(27,25-17(18)11-22(35-36-25)24-19(30)5-3-6-20(24)31)23-8-4-7-21(34-23)16-12-32-26(33-13-16)28(37)14-38-15-28/h3-8,11-13,18,37H,9-10,14-15H2,1-2H3/t18-,29-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497659
PNG
(N-(2-hydroxyethyl)-2-[4-[6-[(1S,8R)-5- (2,6-difluo...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnn(CC(=O)NCCO)c1
Show InChI InChI=1S/C29H28F2N6O2/c1-28(2)19-9-10-29(28,27-18(19)13-23(35-36-27)26-20(30)5-3-6-21(26)31)24-8-4-7-22(34-24)17-14-33-37(15-17)16-25(39)32-11-12-38/h3-8,13-15,19,38H,9-12,16H2,1-2H3,(H,32,39)/t19-,29-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497647
PNG
((2S)-2-hydroxy-N-[5-[6-[(1S,8R)-5-(2,6- difluoroph...)
Show SMILES C[C@H](O)C(=O)Nc1ccc(cn1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C29H26F2N6O2/c1-15(38)27(39)35-24-8-7-16(12-33-24)22-13-32-14-23(34-22)29-10-9-18(28(29,2)3)17-11-21(36-37-26(17)29)25-19(30)5-4-6-20(25)31/h4-8,11-15,18,38H,9-10H2,1-3H3,(H,33,35,39)/t15-,18-,29-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497664
PNG
((2S)-3-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1cnn(C[C@@H](O)CO)n1
Show InChI InChI=1S/C26H25F2N7O2/c1-25(2)16-6-7-26(25,24-15(16)8-19(32-33-24)23-17(27)4-3-5-18(23)28)22-11-29-9-20(31-22)21-10-30-35(34-21)12-14(37)13-36/h3-5,8-11,14,16,36-37H,6-7,12-13H2,1-2H3/t14-,16+,26+/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497715
PNG
(2-[[5-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-di...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnc(NCC(N)=O)nc1
Show InChI InChI=1S/C28H25F2N7O/c1-27(2)17-9-10-28(27,25-16(17)11-21(36-37-25)24-18(29)5-3-6-19(24)30)22-8-4-7-20(35-22)15-12-32-26(33-13-15)34-14-23(31)38/h3-8,11-13,17H,9-10,14H2,1-2H3,(H2,31,38)(H,32,33,34)/t17-,28-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497606
PNG
((1S,8R)-5-(2,6-difluorophenyl)-1-[6-[1-(2- methoxy...)
Show SMILES COCCn1cc(cn1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C27H26F2N6O/c1-26(2)18-7-8-27(26,23-14-30-13-22(32-23)16-12-31-35(15-16)9-10-36-3)25-17(18)11-21(33-34-25)24-19(28)5-4-6-20(24)29/h4-6,11-15,18H,7-10H2,1-3H3/t18-,27-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497581
PNG
(3-[3-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1ccn(CCC#N)n1
Show InChI InChI=1S/C28H24F2N6/c1-27(2)18-10-12-28(27,24-9-4-8-21(32-24)22-11-15-36(35-22)14-5-13-31)26-17(18)16-23(33-34-26)25-19(29)6-3-7-20(25)30/h3-4,6-9,11,15-16,18H,5,10,12,14H2,1-2H3/t18-,28-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497552
PNG
(2,2,2-trifluoro-N-[(1R)-1-[2-[6-[(1S,8R)-5- (2,6-d...)
Show SMILES C[C@@H](NCC(F)(F)F)c1coc(n1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C28H25F5N6O/c1-14(35-13-28(31,32)33)21-12-40-25(37-21)20-10-34-11-22(36-20)27-8-7-16(26(27,2)3)15-9-19(38-39-24(15)27)23-17(29)5-4-6-18(23)30/h4-6,9-12,14,16,35H,7-8,13H2,1-3H3/t14-,16+,27+/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497906
PNG
((5R,8S)-8-(2-(3-(difluorophenyl)-1H- pyrazol-1-yl)...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1ccnc(n1)-n1ccc(n1)C(F)F
Show InChI InChI=1S/C25H20F4N6/c1-24(2)14-6-9-25(24,19-7-10-30-23(31-19)35-11-8-17(34-35)22(28)29)21-13(14)12-18(32-33-21)20-15(26)4-3-5-16(20)27/h3-5,7-8,10-12,14,22H,6,9H2,1-2H3/t14-,25-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497525
PNG
(US11008312, Example 25 | ethyl N-[[2-[6-[(1S,8R)-5...)
Show SMILES CCOC(=O)NCc1coc(n1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C28H26F2N6O3/c1-4-38-26(37)32-11-15-14-39-25(33-15)21-12-31-13-22(34-21)28-9-8-17(27(28,2)3)16-10-20(35-36-24(16)28)23-18(29)6-5-7-19(23)30/h5-7,10,12-14,17H,4,8-9,11H2,1-3H3,(H,32,37)/t17-,28-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497579
PNG
((2R)-2-[2-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...)
Show SMILES C[C@H](C#N)c1coc(n1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C27H22F2N6O/c1-14(10-30)21-13-36-25(33-21)20-11-31-12-22(32-20)27-8-7-16(26(27,2)3)15-9-19(34-35-24(15)27)23-17(28)5-4-6-18(23)29/h4-6,9,11-14,16H,7-8H2,1-3H3/t14-,16+,27+/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497790
PNG
((1S)-1-[5-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnc(nc1)[C@@H](O)CO
Show InChI InChI=1S/C28H25F2N5O2/c1-27(2)17-9-10-28(27,25-16(17)11-21(34-35-25)24-18(29)5-3-6-19(24)30)23-8-4-7-20(33-23)15-12-31-26(32-13-15)22(37)14-36/h3-8,11-13,17,22,36-37H,9-10,14H2,1-2H3/t17-,22-,28-/m0/s1
PDB

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n/an/a 5.70n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497644
PNG
(2-[4-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1cnn(CC#N)c1
Show InChI InChI=1S/C26H21F2N7/c1-25(2)17-6-7-26(25,22-13-30-12-21(32-22)15-11-31-35(14-15)9-8-29)24-16(17)10-20(33-34-24)23-18(27)4-3-5-19(23)28/h3-5,10-14,17H,6-7,9H2,1-2H3/t17-,26-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497556
PNG
(N-[5-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1ccc(NS(C)(=O)=O)nc1
Show InChI InChI=1S/C27H24F2N6O2S/c1-26(2)17-9-10-27(26,25-16(17)11-20(33-34-25)24-18(28)5-4-6-19(24)29)22-14-30-13-21(32-22)15-7-8-23(31-12-15)35-38(3,36)37/h4-8,11-14,17H,9-10H2,1-3H3,(H,31,35)/t17-,27-/m0/s1
PDB

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n/an/a 5.70n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497575
PNG
(2-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dimeth...)
Show SMILES CCS(=O)(=O)[C@@H](C)c1coc(n1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C28H27F2N5O3S/c1-5-39(36,37)15(2)22-14-38-26(33-22)21-12-31-13-23(32-21)28-10-9-17(27(28,3)4)16-11-20(34-35-25(16)28)24-18(29)7-6-8-19(24)30/h6-8,11-15,17H,5,9-10H2,1-4H3/t15-,17-,28-/m0/s1
PDB

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n/an/a 5.80n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497707
PNG
((2S)-1-[[5-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,...)
Show SMILES C[C@@H](O)CNc1ncc(cn1)-c1cccc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C
Show InChI InChI=1S/C29H28F2N6O/c1-16(38)13-32-27-33-14-17(15-34-27)22-8-5-9-24(35-22)29-11-10-19(28(29,2)3)18-12-23(36-37-26(18)29)25-20(30)6-4-7-21(25)31/h4-9,12,14-16,19,38H,10-11,13H2,1-3H3,(H,32,33,34)/t16-,19+,29+/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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


(Homo sapiens (Human))
BDBM497510
PNG
((1S)-2,2-difluoro-1-[2-[6-[(1R,8R)-5-(2,6- difluor...)
Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1nc(co1)[C@@H](O)C(F)F
Show InChI InChI=1S/C26H21F4N5O2/c1-25(2)13-6-7-26(25,22-12(13)8-16(34-35-22)20-14(27)4-3-5-15(20)28)19-10-31-9-17(32-19)24-33-18(11-37-24)21(36)23(29)30/h3-5,8-11,13,21,23,36H,6-7H2,1-2H3/t13-,21+,26-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...


US Patent US11008312 (2021)

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