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Patent code US9550771

Compile Data Set for Download or QSAR
Found 93 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))
BDBM268404
PNG
(4-(3-(2-(Trifluoromethyl)benzoyl)imidazo[1,5-a]pyr...)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3ccccc23)c(F)c1
Show InChI InChI=1S/C21H11Cl2FN2O3/c22-13-4-3-5-14(23)17(13)19(27)20-25-18(16-6-1-2-9-26(16)20)12-8-7-11(21(28)29)10-15(12)24/h1-10H,(H,28,29)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268415
PNG
(2,3-difluoro-4-[3-[2- (trifluoromethyl)benzoyl]imi...)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)c(F)c1F
Show InChI InChI=1S/C22H11F5N2O3/c23-16-12(8-9-13(17(16)24)21(31)32)18-15-7-3-4-10-29(15)20(28-18)19(30)11-5-1-2-6-14(11)22(25,26)27/h1-10H,(H,31,32)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268421
PNG
(4-[3-[2- (trifluoromethyl)benzoyl]-5,6,7,8- tetrah...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2ccccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)16-6-2-1-5-15(16)19(28)20-26-18(17-7-3-4-12-27(17)20)13-8-10-14(11-9-13)21(29)30/h1-2,5-6,8-11H,3-4,7,12H2,(H,29,30)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268426
PNG
(3-chloro-4-[3-[2-chloro-6- (trifluoromethyl)benzoy...)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3CCCCc23)c(Cl)c1
Show InChI InChI=1S/C22H15Cl2F3N2O3/c23-14-5-3-4-13(22(25,26)27)17(14)19(30)20-28-18(16-6-1-2-9-29(16)20)12-8-7-11(21(31)32)10-15(12)24/h3-5,7-8,10H,1-2,6,9H2,(H,31,32)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106326
PNG
(CHEMBL3598153 | US9550771, Example 30)
Show SMILES OC(=O)C1CCN(CC1)c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C21H17ClF3N3O3/c22-14-5-3-4-13(21(23,24)25)16(14)17(29)19-26-18(15-6-1-2-9-28(15)19)27-10-7-12(8-11-27)20(30)31/h1-6,9,12H,7-8,10-11H2,(H,30,31)
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n/an/an/an/a 539n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268435
PNG
(4-[3-(2-chloro-6-cyclopropyl- benzoyl)imidazo[1,5-...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12
Show InChI InChI=1S/C24H17ClN2O3/c25-18-5-3-4-17(14-7-8-14)20(18)22(28)23-26-21(19-6-1-2-13-27(19)23)15-9-11-16(12-10-15)24(29)30/h1-6,9-14H,7-8H2,(H,29,30)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268436
PNG
(4-[3-(2-chloro-6-cyclopropyl- benzoyl)imidazo[1,5-...)
Show SMILES OC(=O)C1CCC(=CC1)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12
Show InChI InChI=1S/C24H21ClN2O3/c25-18-5-3-4-17(14-7-8-14)20(18)22(28)23-26-21(19-6-1-2-13-27(19)23)15-9-11-16(12-10-15)24(29)30/h1-6,9,13-14,16H,7-8,10-12H2,(H,29,30)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268440
PNG
(6-[3-[2-chloro-6- (trifluoromethyl)benzoyl]imidazo...)
Show SMILES FC(F)(F)c1cccc(Cl)c1C(=O)c1nc(-c2ccc3C(=O)NS(=O)(=O)c3c2)c2ccccn12
Show InChI InChI=1S/C22H11ClF3N3O4S/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-29(15)20)11-7-8-12-16(10-11)34(32,33)28-21(12)31/h1-10H,(H,28,31)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268441
PNG
(4-[3-[2-chloro-6- (cyanomethyl)benzoyl]imidazo [1,...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2CC#N)n2ccccc12
Show InChI InChI=1S/C23H14ClN3O3/c24-17-5-3-4-14(11-12-25)19(17)21(28)22-26-20(18-6-1-2-13-27(18)22)15-7-9-16(10-8-15)23(29)30/h1-10,13H,11H2,(H,29,30)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268447
PNG
(4-[3-(2-chloro-6-cyclopropyl- benzoyl)imidazo[1,5-...)
Show SMILES OCc1cc(ccc1-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12)C(O)=O
Show InChI InChI=1S/C25H19ClN2O4/c26-19-5-3-4-17(14-7-8-14)21(19)23(30)24-27-22(20-6-1-2-11-28(20)24)18-10-9-15(25(31)32)12-16(18)13-29/h1-6,9-12,14,29H,7-8,13H2,(H,31,32)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268454
PNG
(4-[3-(2-chloro-6-morpholino- benzoyl)imidazo[1,5-a...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2N2CCOCC2)n2ccccc12
Show InChI InChI=1S/C25H20ClN3O5/c26-17-4-3-6-18(28-10-12-34-13-11-28)21(17)23(31)24-27-22(19-5-1-2-9-29(19)24)15-7-8-16(25(32)33)20(30)14-15/h1-9,14,30H,10-13H2,(H,32,33)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268456
PNG
(1-[6-(azetidine-1-carbonyl)-3-(2- chloro-6-cyclopr...)
Show SMILES OC1CN(CCC1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cc(ccc12)C(=O)N1CCC1
Show InChI InChI=1S/C27H27ClN4O5/c28-19-4-1-3-17(15-5-6-15)22(19)23(34)25-29-24(31-12-9-18(27(36)37)21(33)14-31)20-8-7-16(13-32(20)25)26(35)30-10-2-11-30/h1,3-4,7-8,13,15,18,21,33H,2,5-6,9-12,14H2,(H,36,37)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268458
PNG
((3R,4R)-1-[3-(2-chloro-6- cyclopropyl-benzoyl)-6- ...)
Show SMILES CN(C)C(=O)c1ccc2c(nc(C(=O)c3c(Cl)cccc3C3CC3)n2c1)N1CC[C@H]([C@@H](O)C1)C(O)=O
Show InChI InChI=1S/C26H27ClN4O5/c1-29(2)25(34)15-8-9-19-23(30-11-10-17(26(35)36)20(32)13-30)28-24(31(19)12-15)22(33)21-16(14-6-7-14)4-3-5-18(21)27/h3-5,8-9,12,14,17,20,32H,6-7,10-11,13H2,1-2H3,(H,35,36)/t17-,20+/m1/s1
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106295
PNG
(CHEMBL3596272 | US9550771, Example 64)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(F)cccc3Cl)n3CCCCc23)c(F)c1
Show InChI InChI=1S/C21H15ClF2N2O3/c22-13-4-3-5-14(23)17(13)19(27)20-25-18(16-6-1-2-9-26(16)20)12-8-7-11(21(28)29)10-15(12)24/h3-5,7-8,10H,1-2,6,9H2,(H,28,29)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268483
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3CCCCc23)c(F)c1O
Show InChI InChI=1S/C22H15ClF4N2O4/c23-13-5-3-4-12(22(25,26)27)15(13)19(31)20-28-17(14-6-1-2-9-29(14)20)10-7-8-11(21(32)33)18(30)16(10)24/h3-5,7-8,30H,1-2,6,9H2,(H,32,33)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268406
PNG
(1-(3-(2-chloro-6-(trifluoromethyl)benzoyl)imidazo[...)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)c(F)c1
Show InChI InChI=1S/C22H12F4N2O3/c23-16-11-12(21(30)31)8-9-14(16)18-17-7-3-4-10-28(17)20(27-18)19(29)13-5-1-2-6-15(13)22(24,25)26/h1-11H,(H,30,31)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268424
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES OC(=O)c1ccc(cc1F)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H15ClF4N2O3/c23-14-5-3-4-13(22(25,26)27)17(14)19(30)20-28-18(16-6-1-2-9-29(16)20)11-7-8-12(21(31)32)15(24)10-11/h3-5,7-8,10H,1-2,6,9H2,(H,31,32)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106325
PNG
(CHEMBL3598150 | US9550771, Example 29)
Show SMILES OC(=O)C1CCC(=CC1)c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H16ClF3N2O3/c23-15-5-3-4-14(22(24,25)26)17(15)19(29)20-27-18(16-6-1-2-11-28(16)20)12-7-9-13(10-8-12)21(30)31/h1-7,11,13H,8-10H2,(H,30,31)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268432
PNG
(4-[3-(2-chloro-6-prop-1-ynyl- benzoyl)imidazo[1,5-...)
Show SMILES CC#Cc1cccc(Cl)c1C(=O)c1nc(-c2ccc(cc2)C(O)=O)c2ccccn12
Show InChI InChI=1S/C24H15ClN2O3/c1-2-6-15-7-5-8-18(25)20(15)22(28)23-26-21(19-9-3-4-14-27(19)23)16-10-12-17(13-11-16)24(29)30/h3-5,7-14H,1H3,(H,29,30)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268439
PNG
(4-[3-(2- cyclopropylbenzoyl)imidazo[1,5- a]pyridin...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2ccccc2C2CC2)n2ccccc12
Show InChI InChI=1S/C24H18N2O4/c27-20-13-15(10-11-18(20)24(29)30)21-19-7-3-4-12-26(19)23(25-21)22(28)17-6-2-1-5-16(17)14-8-9-14/h1-7,10-14,27H,8-9H2,(H,29,30)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268462
PNG
((3R,4R)-1-[8-chloro-3-(2-chloro- 6-cyclopropyl- be...)
Show SMILES O[C@H]1CN(CC[C@H]1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccc(Cl)c12
Show InChI InChI=1S/C23H21Cl2N3O4/c24-15-4-1-3-13(12-6-7-12)18(15)20(30)22-26-21(19-16(25)5-2-9-28(19)22)27-10-8-14(23(31)32)17(29)11-27/h1-5,9,12,14,17,29H,6-8,10-11H2,(H,31,32)/t14-,17+/m1/s1
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268469
PNG
(4-[3-(2,6-dichlorobenzoyl)- 5,6,7,8-tetrahydroimid...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2Cl)n2CCCCc12
Show InChI InChI=1S/C21H16Cl2N2O4/c22-13-4-3-5-14(23)17(13)19(27)20-24-18(15-6-1-2-9-25(15)20)11-7-8-12(21(28)29)16(26)10-11/h3-5,7-8,10,26H,1-2,6,9H2,(H,28,29)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268478
PNG
(2-hydroxy-4-[3-[2-methyl-6- (trifluoromethyl)benzo...)
Show SMILES Cc1cccc(c1C(=O)c1nc(c2CCCCn12)-c1ccc(C(O)=O)c(O)c1)C(F)(F)F
Show InChI InChI=1S/C23H19F3N2O4/c1-12-5-4-6-15(23(24,25)26)18(12)20(30)21-27-19(16-7-2-3-10-28(16)21)13-8-9-14(22(31)32)17(29)11-13/h4-6,8-9,11,29H,2-3,7,10H2,1H3,(H,31,32)
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n/an/an/an/a 14n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268485
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES CNc1cc(ccc1C(O)=O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C23H19ClF3N3O3/c1-28-16-11-12(8-9-13(16)22(32)33)19-17-7-2-3-10-30(17)21(29-19)20(31)18-14(23(25,26)27)5-4-6-15(18)24/h4-6,8-9,11,28H,2-3,7,10H2,1H3,(H,32,33)
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n/an/an/an/a 5.30E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268488
PNG
(6-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES FC(F)(F)c1cccc(Cl)c1C(=O)c1nc(c2CCCCn12)-c1ccc2C(=O)NS(=O)(=O)c2c1
Show InChI InChI=1S/C22H15ClF3N3O4S/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-29(15)20)11-7-8-12-16(10-11)34(32,33)28-21(12)31/h3-5,7-8,10H,1-2,6,9H2,(H,28,31)
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n/an/an/an/a 691n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106297
PNG
(CHEMBL3596274 | US9550771, Example 88)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C#N)n3CCCCc23)c(F)c1
Show InChI InChI=1S/C22H15ClFN3O3/c23-15-5-3-4-13(11-25)18(15)20(28)21-26-19(17-6-1-2-9-27(17)21)14-8-7-12(22(29)30)10-16(14)24/h3-5,7-8,10H,1-2,6,9H2,(H,29,30)
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n/an/an/an/a 250n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268407
PNG
(4-[3-[2- (trifluoromethyl)benzoyl]imidazo [1,5-a]p...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2ccccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H13F3N2O3/c23-22(24,25)16-6-2-1-5-15(16)19(28)20-26-18(17-7-3-4-12-27(17)20)13-8-10-14(11-9-13)21(29)30/h1-12H,(H,29,30)
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n/an/an/an/a 179n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268408
PNG
(1-[3-[2- (trifluoromethyl)benzoyl]imidazo [1,5-a]p...)
Show SMILES OC(=O)C1CCN(CC1)c1nc(C(=O)c2ccccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)15-6-2-1-5-14(15)17(28)19-25-18(16-7-3-4-10-27(16)19)26-11-8-13(9-12-26)20(29)30/h1-7,10,13H,8-9,11-12H2,(H,29,30)
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n/an/an/an/a 2.70E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268412
PNG
(2-fluoro-4-[3-[2- (trifluoromethyl)benzoyl]imidazo...)
Show SMILES OC(=O)c1ccc(cc1F)-c1nc(C(=O)c2ccccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H12F4N2O3/c23-16-11-12(8-9-14(16)21(30)31)18-17-7-3-4-10-28(17)20(27-18)19(29)13-5-1-2-6-15(13)22(24,25)26/h1-11H,(H,30,31)
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n/an/an/an/a 486n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268419
PNG
(4-[6-(2,6- dichlorobenzoyl)imidazo[1,5- a]pyrimidi...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2Cl)n2cccnc12
Show InChI InChI=1S/C20H11Cl2N3O3/c21-13-3-1-4-14(22)15(13)17(26)19-24-16(18-23-9-2-10-25(18)19)11-5-7-12(8-6-11)20(27)28/h1-10H,(H,27,28)
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n/an/an/an/a 84n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106289
PNG
(CHEMBL3596270 | US9550771, Example 21)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3CCCCc23)c(F)c1
Show InChI InChI=1S/C22H15ClF4N2O3/c23-14-5-3-4-13(22(25,26)27)17(14)19(30)20-28-18(16-6-1-2-9-29(16)20)12-8-7-11(21(31)32)10-15(12)24/h3-5,7-8,10H,1-2,6,9H2,(H,31,32)
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n/an/an/an/a 32n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268445
PNG
(4-[3-(2-chloro-6-cyclopropyl- benzoyl)-6- (dimethy...)
Show SMILES CN(C)C(=O)c1ccc2c(nc(C(=O)c3c(Cl)cccc3C3CC3)n2c1)C1=CCC(CC1)C(O)=O
Show InChI InChI=1S/C27H26ClN3O4/c1-30(2)26(33)18-12-13-21-23(16-8-10-17(11-9-16)27(34)35)29-25(31(21)14-18)24(32)22-19(15-6-7-15)4-3-5-20(22)28/h3-5,8,12-15,17H,6-7,9-11H2,1-2H3,(H,34,35)
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n/an/an/an/a 22n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268460
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]imidazo...)
Show SMILES OC(=O)C1CCC(CC1)c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H18ClF3N2O3/c23-15-5-3-4-14(22(24,25)26)17(15)19(29)20-27-18(16-6-1-2-11-28(16)20)12-7-9-13(10-8-12)21(30)31/h1-6,11-13H,7-10H2,(H,30,31)
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n/an/an/an/a 404n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268466
PNG
(4-[3-(2,6-difluorobenzoyl)- 5,6,7,8-tetrahydroimid...)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(F)cccc3F)n3CCCCc23)c(F)c1
Show InChI InChI=1S/C21H15F3N2O3/c22-13-4-3-5-14(23)17(13)19(27)20-25-18(16-6-1-2-9-26(16)20)12-8-7-11(21(28)29)10-15(12)24/h3-5,7-8,10H,1-2,6,9H2,(H,28,29)
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n/an/an/an/a 420n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268468
PNG
(4-[3-(2,6-dichlorobenzoyl)- 5,6,7,8-tetrahydroimid...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2Cl)n2CCCCc12
Show InChI InChI=1S/C21H16Cl2N2O3/c22-14-4-3-5-15(23)17(14)19(26)20-24-18(16-6-1-2-11-25(16)20)12-7-9-13(10-8-12)21(27)28/h3-5,7-10H,1-2,6,11H2,(H,27,28)
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n/an/an/an/a 195n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106299
PNG
(CHEMBL3596277 | US9550771, Example 71)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(cccc3C(F)(F)F)C#N)n3CCCCc23)c(F)c1
Show InChI InChI=1S/C23H15F4N3O3/c24-16-10-12(22(32)33)7-8-14(16)19-17-6-1-2-9-30(17)21(29-19)20(31)18-13(11-28)4-3-5-15(18)23(25,26)27/h3-5,7-8,10H,1-2,6,9H2,(H,32,33)
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n/an/an/an/a 215n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106298
PNG
(CHEMBL3596275 | US9550771, Example 72)
Show SMILES COc1cccc(Cl)c1C(=O)c1nc(c2CCCCn12)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C22H18ClFN2O4/c1-30-17-7-4-5-14(23)18(17)20(27)21-25-19(16-6-2-3-10-26(16)21)13-9-8-12(22(28)29)11-15(13)24/h4-5,7-9,11H,2-3,6,10H2,1H3,(H,28,29)
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n/an/an/an/a 236n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268482
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES Cc1cc(C(O)=O)c(O)cc1-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C23H18ClF3N2O4/c1-11-9-13(22(32)33)17(30)10-12(11)19-16-7-2-3-8-29(16)21(28-19)20(31)18-14(23(25,26)27)5-4-6-15(18)24/h4-6,9-10,30H,2-3,7-8H2,1H3,(H,32,33)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268409
PNG
(2-chloro-4-[3-[2- (trifluoromethyl)benzoyl]imidazo...)
Show SMILES OC(=O)c1ccc(cc1Cl)-c1nc(C(=O)c2ccccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H12ClF3N2O3/c23-16-11-12(8-9-14(16)21(30)31)18-17-7-3-4-10-28(17)20(27-18)19(29)13-5-1-2-6-15(13)22(24,25)26/h1-11H,(H,30,31)
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n/an/an/an/a 2.90E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268410
PNG
(3-chloro-4-[3-[2- (trifluoromethyl)benzoyl]imidazo...)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)c(Cl)c1
Show InChI InChI=1S/C22H12ClF3N2O3/c23-16-11-12(21(30)31)8-9-14(16)18-17-7-3-4-10-28(17)20(27-18)19(29)13-5-1-2-6-15(13)22(24,25)26/h1-11H,(H,30,31)
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n/an/an/an/a 496n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268417
PNG
(4-[3-(2,6- dichlorobenzoyl)imidazo[1,5 a]pyridin-1...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2Cl)n2ccccc12
Show InChI InChI=1S/C21H12Cl2N2O4/c22-13-4-3-5-14(23)17(13)19(27)20-24-18(15-6-1-2-9-25(15)20)11-7-8-12(21(28)29)16(26)10-11/h1-10,26H,(H,28,29)
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n/an/an/an/a 3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268420
PNG
(4-[1-(2-fluoro-6-methoxy- benzoyl)-5,6,7,8- tetrah...)
Show SMILES COc1cccc(F)c1C(=O)c1nc(-c2ccc(cc2)C(O)=O)n2CCCCc12
Show InChI InChI=1S/C22H19FN2O4/c1-29-17-7-4-5-15(23)18(17)20(26)19-16-6-2-3-12-25(16)21(24-19)13-8-10-14(11-9-13)22(27)28/h4-5,7-11H,2-3,6,12H2,1H3,(H,27,28)
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n/an/an/an/a 4.40E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106302
PNG
(CHEMBL3598142 | US9550771, Example 22)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H16ClF3N2O3/c23-15-5-3-4-14(22(24,25)26)17(15)19(29)20-27-18(16-6-1-2-11-28(16)20)12-7-9-13(10-8-12)21(30)31/h3-5,7-10H,1-2,6,11H2,(H,30,31)
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n/an/an/an/a 58n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268425
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H16ClF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h3-5,7-8,10,29H,1-2,6,9H2,(H,31,32)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268433
PNG
(4-[3-[2-chloro-6-(2- cyclopropylethynyl)benzoyl] i...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C#CC2CC2)n2ccccc12
Show InChI InChI=1S/C26H17ClN2O3/c27-20-5-3-4-17(10-9-16-7-8-16)22(20)24(30)25-28-23(21-6-1-2-15-29(21)25)18-11-13-19(14-12-18)26(31)32/h1-6,11-16H,7-8H2,(H,31,32)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268457
PNG
((3S,4R)-1-[3-(2-chloro-6- cyclopropyl-benzoyl)-6- ...)
Show SMILES CN(C)C(=O)c1ccc2c(nc(C(=O)c3c(Cl)cccc3C3CC3)n2c1)N1CC[C@H]([C@H](O)C1)C(O)=O
Show InChI InChI=1S/C26H27ClN4O5/c1-29(2)25(34)15-8-9-19-23(30-11-10-17(26(35)36)20(32)13-30)28-24(31(19)12-15)22(33)21-16(14-6-7-14)4-3-5-18(21)27/h3-5,8-9,12,14,17,20,32H,6-7,10-11,13H2,1-2H3,(H,35,36)/t17-,20-/m1/s1
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n/an/an/an/a 19n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268459
PNG
(1-[3-(2-chloro-6-cyclopropyl- benzoyl)-6-(3-methox...)
Show SMILES COC1CN(C1)C(=O)c1ccc2c(nc(C(=O)c3c(Cl)cccc3C3CC3)n2c1)N1CCC(C(O)C1)C(O)=O
Show InChI InChI=1S/C28H29ClN4O6/c1-39-17-12-32(13-17)27(36)16-7-8-21-25(31-10-9-19(28(37)38)22(34)14-31)30-26(33(21)11-16)24(35)23-18(15-5-6-15)3-2-4-20(23)29/h2-4,7-8,11,15,17,19,22,34H,5-6,9-10,12-14H2,1H3,(H,37,38)
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n/an/an/an/a 70n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268476
PNG
(2-amino-4-[3-[2-chloro-6- (trifluoromethyl)benzoyl...)
Show SMILES Nc1cc(ccc1C(O)=O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H17ClF3N3O3/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-28-18(16-6-1-2-9-29(16)20)11-7-8-12(21(31)32)15(27)10-11/h3-5,7-8,10H,1-2,6,9,27H2,(H,31,32)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268491
PNG
(4-[3-(2-chloro-6-cyclopropyl- benzoyl)-5,6,7,8- te...)
Show SMILES Cc1cc(C(O)=O)c(O)cc1-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2CCCCc12
Show InChI InChI=1S/C25H23ClN2O4/c1-13-11-17(25(31)32)20(29)12-16(13)22-19-7-2-3-10-28(19)24(27-22)23(30)21-15(14-8-9-14)5-4-6-18(21)26/h4-6,11-12,14,29H,2-3,7-10H2,1H3,(H,31,32)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106292
PNG
(CHEMBL3598155 | US9550771, Example 92)
Show SMILES O[C@H]1CN(CC[C@@H]1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C21H17ClF3N3O4/c22-13-5-3-4-12(21(23,24)25)16(13)17(30)19-26-18(14-6-1-2-8-28(14)19)27-9-7-11(20(31)32)15(29)10-27/h1-6,8,11,15,29H,7,9-10H2,(H,31,32)/t11-,15-/m0/s1
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268402
PNG
(4-(3-(2,6-Dichlorobenzoyl)imidazo[1,5-a]pyridin-1-...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2Cl)n2ccccc12
Show InChI InChI=1S/C21H12Cl2N2O3/c22-14-4-3-5-15(23)17(14)19(26)20-24-18(16-6-1-2-11-25(16)20)12-7-9-13(10-8-12)21(27)28/h1-11H,(H,27,28)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268411
PNG
(3-methyl-4-[3-[2- (trifluoromethyl)benzoyl]imidazo...)
Show SMILES Cc1cc(ccc1-c1nc(C(=O)c2ccccc2C(F)(F)F)n2ccccc12)C(O)=O
Show InChI InChI=1S/C23H15F3N2O3/c1-13-12-14(22(30)31)9-10-15(13)19-18-8-4-5-11-28(18)21(27-19)20(29)16-6-2-3-7-17(16)23(24,25)26/h2-12H,1H3,(H,30,31)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268413
PNG
(2-hydroxy-4-[3-[2- (trifluoromethyl)benzoyl]imidaz...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2ccccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H13F3N2O4/c23-22(24,25)15-6-2-1-5-13(15)19(29)20-26-18(16-7-3-4-10-27(16)20)12-8-9-14(21(30)31)17(28)11-12/h1-11,28H,(H,30,31)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106286
PNG
(CHEMBL3598141 | US9550771, Example 27)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H12ClF3N2O3/c23-15-5-3-4-14(22(24,25)26)17(15)19(29)20-27-18(16-6-1-2-11-28(16)20)12-7-9-13(10-8-12)21(30)31/h1-11H,(H,30,31)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106293
PNG
(CHEMBL3596269 | US9550771, Example 41)
Show SMILES O[C@@H]1CN(CC[C@H]1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C21H17ClF3N3O4/c22-13-5-3-4-12(21(23,24)25)16(13)17(30)19-26-18(14-6-1-2-8-28(14)19)27-9-7-11(20(31)32)15(29)10-27/h1-6,8,11,15,29H,7,9-10H2,(H,31,32)/t11-,15-/m1/s1
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106292
PNG
(CHEMBL3598155 | US9550771, Example 92)
Show SMILES O[C@H]1CN(CC[C@@H]1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C21H17ClF3N3O4/c22-13-5-3-4-12(21(23,24)25)16(13)17(30)19-26-18(14-6-1-2-8-28(14)19)27-9-7-11(20(31)32)15(29)10-27/h1-6,8,11,15,29H,7,9-10H2,(H,31,32)/t11-,15-/m0/s1
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268450
PNG
((3S,4R)-1-[3-(2-chloro-6- cyclopropyl- benzoyl)imi...)
Show SMILES O[C@@H]1CN(CC[C@H]1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12
Show InChI InChI=1S/C23H22ClN3O4/c24-16-5-3-4-14(13-7-8-13)19(16)20(29)22-25-21(17-6-1-2-10-27(17)22)26-11-9-15(23(30)31)18(28)12-26/h1-6,10,13,15,18,28H,7-9,11-12H2,(H,30,31)/t15-,18-/m1/s1
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268451
PNG
((3R,4R)-1-[3-(2-chloro-6- cyclopropyl- benzoyl)imi...)
Show SMILES O[C@H]1CN(CC[C@H]1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12
Show InChI InChI=1S/C23H22ClN3O4/c24-16-5-3-4-14(13-7-8-13)19(16)20(29)22-25-21(17-6-1-2-10-27(17)22)26-11-9-15(23(30)31)18(28)12-26/h1-6,10,13,15,18,28H,7-9,11-12H2,(H,30,31)/t15-,18+/m1/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268474
PNG
(4-[3-[2-bromo-6- (trifluoromethyl)benzoyl]-5,6,7,8...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Br)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H16BrF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h3-5,7-8,10,29H,1-2,6,9H2,(H,31,32)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106287
PNG
(CHEMBL3598148 | US9550771, Example 17)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H12ClF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h1-10,29H,(H,31,32)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268427
PNG
(2-acetoxy-4-[3-[2-chloro-6- (trifluoromethyl)benzo...)
Show SMILES CC(=O)Oc1cc(ccc1C(O)=O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C24H14ClF3N2O5/c1-12(31)35-18-11-13(8-9-14(18)23(33)34)20-17-7-2-3-10-30(17)22(29-20)21(32)19-15(24(26,27)28)5-4-6-16(19)25/h2-11H,1H3,(H,33,34)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106288
PNG
(CHEMBL3598149 | US9550771, Example 28)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)c(F)c1
Show InChI InChI=1S/C22H11ClF4N2O3/c23-14-5-3-4-13(22(25,26)27)17(14)19(30)20-28-18(16-6-1-2-9-29(16)20)12-8-7-11(21(31)32)10-15(12)24/h1-10H,(H,31,32)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268437
PNG
(1-[3-(2-chloro-6-cyclopropyl- benzoyl)imidazo[1,5-...)
Show SMILES OC(=O)C1CCN(CC1)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12
Show InChI InChI=1S/C23H22ClN3O3/c24-17-5-3-4-16(14-7-8-14)19(17)20(28)22-25-21(18-6-1-2-11-27(18)22)26-12-9-15(10-13-26)23(29)30/h1-6,11,14-15H,7-10,12-13H2,(H,29,30)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268438
PNG
(1-[3-[2-chloro-6- (trifluoromethyl)benzoyl]imidazo...)
Show SMILES OC1CN(CCC1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C21H17ClF3N3O4/c22-13-5-3-4-12(21(23,24)25)16(13)17(30)19-26-18(14-6-1-2-8-28(14)19)27-9-7-11(20(31)32)15(29)10-27/h1-6,8,11,15,29H,7,9-10H2,(H,31,32)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268444
PNG
(4-[3-(2-chloro-6-cyclopropyl- benzoyl)-6- (dimethy...)
Show SMILES CN(C)C(=O)c1ccc2c(nc(C(=O)c3c(Cl)cccc3C3CC3)n2c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22ClN3O4/c1-30(2)26(33)18-12-13-21-23(16-8-10-17(11-9-16)27(34)35)29-25(31(21)14-18)24(32)22-19(15-6-7-15)4-3-5-20(22)28/h3-5,8-15H,6-7H2,1-2H3,(H,34,35)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268446
PNG
(1-[3-(2-chloro-6-cyclopropyl- benzoyl)imidazo[1,5-...)
Show SMILES OC1CN(CCC1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12
Show InChI InChI=1S/C23H22ClN3O4/c24-16-5-3-4-14(13-7-8-13)19(16)20(29)22-25-21(17-6-1-2-10-27(17)22)26-11-9-15(23(30)31)18(28)12-26/h1-6,10,13,15,18,28H,7-9,11-12H2,(H,30,31)
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268450
PNG
((3S,4R)-1-[3-(2-chloro-6- cyclopropyl- benzoyl)imi...)
Show SMILES O[C@@H]1CN(CC[C@H]1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12
Show InChI InChI=1S/C23H22ClN3O4/c24-16-5-3-4-14(13-7-8-13)19(16)20(29)22-25-21(17-6-1-2-10-27(17)22)26-11-9-15(23(30)31)18(28)12-26/h1-6,10,13,15,18,28H,7-9,11-12H2,(H,30,31)/t15-,18-/m1/s1
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Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268453
PNG
((3R,4S)-1-[3-(2-chloro-6- cyclopropyl- benzoyl)imi...)
Show SMILES O[C@H]1CN(CC[C@@H]1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12
Show InChI InChI=1S/C23H22ClN3O4/c24-16-5-3-4-14(13-7-8-13)19(16)20(29)22-25-21(17-6-1-2-10-27(17)22)26-11-9-15(23(30)31)18(28)12-26/h1-6,10,13,15,18,28H,7-9,11-12H2,(H,30,31)/t15-,18-/m0/s1
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n/an/an/an/a 369n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268475
PNG
(4-[3-(2-bromo-6-chloro-benzoyl)- 5,6,7,8-tetrahydr...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2Br)n2CCCCc12
Show InChI InChI=1S/C21H16BrClN2O4/c22-13-4-3-5-14(23)17(13)19(27)20-24-18(15-6-1-2-9-25(15)20)11-7-8-12(21(28)29)16(26)10-11/h3-5,7-8,10,26H,1-2,6,9H2,(H,28,29)
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n/an/an/an/a 7n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268479
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES OC(=O)c1c(O)cc(cc1F)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H15ClF4N2O4/c23-12-5-3-4-11(22(25,26)27)16(12)19(31)20-28-18(14-6-1-2-7-29(14)20)10-8-13(24)17(21(32)33)15(30)9-10/h3-5,8-9,30H,1-2,6-7H2,(H,32,33)
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n/an/an/an/a 4n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268481
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES OC(=O)c1cc(F)c(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H15ClF4N2O4/c23-13-5-3-4-12(22(25,26)27)17(13)19(31)20-28-18(15-6-1-2-7-29(15)20)10-9-16(30)11(21(32)33)8-14(10)24/h3-5,8-9,30H,1-2,6-7H2,(H,32,33)
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n/an/an/an/a 6n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268403
PNG
(4-(6-(2,6-Dichlorobenzoyl)imidazo[1,5-a]pyrimidin-...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(Sc2c(Cl)cccc2Cl)n2ccccc12
Show InChI InChI=1S/C20H12Cl2N2O2S/c21-14-4-3-5-15(22)18(14)27-20-23-17(16-6-1-2-11-24(16)20)12-7-9-13(10-8-12)19(25)26/h1-11H,(H,25,26)
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n/an/an/an/a 262n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268448
PNG
(2-hydroxy-4-[3-(2- morpholinobenzoyl)imidazo[1,5- ...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2ccccc2N2CCOCC2)n2ccccc12
Show InChI InChI=1S/C25H21N3O5/c29-21-15-16(8-9-18(21)25(31)32)22-20-7-3-4-10-28(20)24(26-22)23(30)17-5-1-2-6-19(17)27-11-13-33-14-12-27/h1-10,15,29H,11-14H2,(H,31,32)
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n/an/an/an/a 50n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268449
PNG
(4-[6-(azetidine-1-carbonyl)-3-(2- chloro-6-cyclopr...)
Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cc(ccc12)C(=O)N1CCC1
Show InChI InChI=1S/C28H22ClN3O4/c29-21-4-1-3-20(16-5-6-16)23(21)25(33)26-30-24(17-7-9-18(10-8-17)28(35)36)22-12-11-19(15-32(22)26)27(34)31-13-2-14-31/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,35,36)
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n/an/an/an/a 3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268455
PNG
(4-[8-chloro-3-(2-chloro-6- cyclopropyl- benzoyl)im...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccc(Cl)c12
Show InChI InChI=1S/C24H16Cl2N2O4/c25-16-4-1-3-14(12-6-7-12)19(16)22(30)23-27-20(21-17(26)5-2-10-28(21)23)13-8-9-15(24(31)32)18(29)11-13/h1-5,8-12,29H,6-7H2,(H,31,32)
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n/an/an/an/a 2n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268471
PNG
(N-[4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6...)
Show SMILES FC(F)(F)c1cccc(Cl)c1C(=O)c1nc(c2CCCCn12)-c1ccc(NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C22H16ClF6N3O3S/c23-15-5-3-4-14(21(24,25)26)17(15)19(33)20-30-18(16-6-1-2-11-32(16)20)12-7-9-13(10-8-12)31-36(34,35)22(27,28)29/h3-5,7-10,31H,1-2,6,11H2
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n/an/an/an/a 1.80E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268477
PNG
(7-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES Oc1cc(=O)oc2cc(ccc12)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C24H16ClF3N2O4/c25-15-5-3-4-14(24(26,27)28)20(15)22(33)23-29-21(16-6-1-2-9-30(16)23)12-7-8-13-17(31)11-19(32)34-18(13)10-12/h3-5,7-8,10-11,31H,1-2,6,9H2
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n/an/an/an/a 1.60E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268486
PNG
(4-[3-(2,6-dichloro-4-methoxy- benzoyl)-5,6,7,8- te...)
Show SMILES COc1cc(Cl)c(C(=O)c2nc(c3CCCCn23)-c2ccc(cc2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C22H18Cl2N2O4/c1-30-14-10-15(23)18(16(24)11-14)20(27)21-25-19(17-4-2-3-9-26(17)21)12-5-7-13(8-6-12)22(28)29/h5-8,10-11H,2-4,9H2,1H3,(H,28,29)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268487
PNG
(4-[3-(2,4-dichloro-6-methoxy- benzoyl)-5,6,7,8- te...)
Show SMILES COc1cc(Cl)cc(Cl)c1C(=O)c1nc(c2CCCCn12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H18Cl2N2O4/c1-30-17-11-14(23)10-15(24)18(17)20(27)21-25-19(16-4-2-3-9-26(16)21)12-5-7-13(8-6-12)22(28)29/h5-8,10-11H,2-4,9H2,1H3,(H,28,29)
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n/an/an/an/a 3.00E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106290
PNG
(CHEMBL3596276 | US9550771, Example 89)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3CCCCc23)c(F)c1
Show InChI InChI=1S/C24H20ClFN2O3/c25-17-5-3-4-15(13-7-8-13)20(17)22(29)23-27-21(19-6-1-2-11-28(19)23)16-10-9-14(24(30)31)12-18(16)26/h3-5,9-10,12-13H,1-2,6-8,11H2,(H,30,31)
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n/an/an/an/a 27n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106285
PNG
(CHEMBL3596279 | US9550771, Example 91)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccnc12
Show InChI InChI=1S/C23H16ClN3O4/c24-16-4-1-3-14(12-5-6-12)18(16)20(29)22-26-19(21-25-9-2-10-27(21)22)13-7-8-15(23(30)31)17(28)11-13/h1-4,7-12,28H,5-6H2,(H,30,31)
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n/an/an/an/a 2n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268405
PNG
(4-(3-(2-(Trifluoromethyl)benzoyl)-5,6,7,8-tetrahyd...)
Show SMILES OC(=O)C1CCN(CC1)c1nc(C(=O)c2c(Cl)cccc2Cl)n2ccccc12
Show InChI InChI=1S/C20H17Cl2N3O3/c21-13-4-3-5-14(22)16(13)17(26)19-23-18(15-6-1-2-9-25(15)19)24-10-7-12(8-11-24)20(27)28/h1-6,9,12H,7-8,10-11H2,(H,27,28)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268414
PNG
(2-hydroxy-5-[3-[2- (trifluoromethyl)benzoyl]imidaz...)
Show SMILES OC(=O)c1cc(ccc1O)-c1nc(C(=O)c2ccccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H13F3N2O4/c23-22(24,25)15-6-2-1-5-13(15)19(29)20-26-18(16-7-3-4-10-27(16)20)12-8-9-17(28)14(11-12)21(30)31/h1-11,28H,(H,30,31)
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n/an/an/an/a 6.30E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268416
PNG
(3,5-difluoro-4-[3-[2- (trifluoromethyl)benzoyl]imi...)
Show SMILES OC(=O)c1cc(F)c(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)c(F)c1
Show InChI InChI=1S/C22H11F5N2O3/c23-14-9-11(21(31)32)10-15(24)17(14)18-16-7-3-4-8-29(16)20(28-18)19(30)12-5-1-2-6-13(12)22(25,26)27/h1-10H,(H,31,32)
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n/an/an/an/a 189n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268434
PNG
(1-[3-[2-chloro-6- (trifluoromethyl)benzoyl]imidazo...)
Show SMILES OC(=O)C1(F)CCN(CC1)c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C21H16ClF4N3O3/c22-13-5-3-4-12(21(24,25)26)15(13)16(30)18-27-17(14-6-1-2-9-29(14)18)28-10-7-20(23,8-11-28)19(31)32/h1-6,9H,7-8,10-11H2,(H,31,32)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268461
PNG
((3S,4R)-1-[8-chloro-3-(2-chloro- 6-cyclopropyl- be...)
Show SMILES O[C@@H]1CN(CC[C@H]1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccc(Cl)c12
Show InChI InChI=1S/C23H21Cl2N3O4/c24-15-4-1-3-13(12-6-7-12)18(15)20(30)22-26-21(19-16(25)5-2-9-28(19)22)27-10-8-14(23(31)32)17(29)11-27/h1-5,9,12,14,17,29H,6-8,10-11H2,(H,31,32)/t14-,17-/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268463
PNG
(2-hydroxy-4-[3-[2- (trifluoromethyl)benzoyl]-5,6,7...)
Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2ccccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H17F3N2O4/c23-22(24,25)15-6-2-1-5-13(15)19(29)20-26-18(16-7-3-4-10-27(16)20)12-8-9-14(21(30)31)17(28)11-12/h1-2,5-6,8-9,11,28H,3-4,7,10H2,(H,30,31)
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n/an/an/an/a 49n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106294
PNG
(CHEMBL3596271 | US9550771, Example 63)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3CCCCc23)c(F)c1
Show InChI InChI=1S/C22H16F4N2O3/c23-16-11-12(21(30)31)8-9-14(16)18-17-7-3-4-10-28(17)20(27-18)19(29)13-5-1-2-6-15(13)22(24,25)26/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,30,31)
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n/an/an/an/a 842n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268467
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES ONC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H17ClF3N3O3/c23-15-5-3-4-14(22(24,25)26)17(15)19(30)20-27-18(16-6-1-2-11-29(16)20)12-7-9-13(10-8-12)21(31)28-32/h3-5,7-10,32H,1-2,6,11H2,(H,28,31)
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n/an/an/an/a 3.10E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106296
PNG
(CHEMBL3596273 | US9550771, Example 69)
Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3CCCCc23)c(F)c1
Show InChI InChI=1S/C21H15Cl2FN2O3/c22-13-4-3-5-14(23)17(13)19(27)20-25-18(16-6-1-2-9-26(16)20)12-8-7-11(21(28)29)10-15(12)24/h3-5,7-8,10H,1-2,6,9H2,(H,28,29)
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n/an/an/an/a 77n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM50106300
PNG
(CHEMBL3596278 | US9550771, Example 79)
Show SMILES COc1cccc(c1C(=O)c1nc(c2CCCCn12)-c1ccc(cc1F)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C23H18F4N2O4/c1-33-17-7-4-5-14(23(25,26)27)18(17)20(30)21-28-19(16-6-2-3-10-29(16)21)13-9-8-12(22(31)32)11-15(13)24/h4-5,7-9,11H,2-3,6,10H2,1H3,(H,31,32)
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n/an/an/an/a 672n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268484
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...)
Show SMILES OC(=O)C1CCC(=CC1)c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12
Show InChI InChI=1S/C22H20ClF3N2O3/c23-15-5-3-4-14(22(24,25)26)17(15)19(29)20-27-18(16-6-1-2-11-28(16)20)12-7-9-13(10-8-12)21(30)31/h3-5,7,13H,1-2,6,8-11H2,(H,30,31)
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n/an/an/an/a 833n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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


(Homo sapiens (Human))
BDBM268494
PNG
(4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]imidazo...)
Show SMILES OC(=O)C1CCC(CC1)c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
Show InChI InChI=1S/C22H18ClF3N2O3/c23-15-5-3-4-14(22(24,25)26)17(15)19(29)20-27-18(16-6-1-2-11-28(16)20)12-7-9-13(10-8-12)21(30)31/h1-6,11-13H,7-10H2,(H,30,31)
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n/an/an/an/a 4.30E+3n/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9550771 (2017)

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