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Patent code US10106501

Compile Data Set for Download or QSAR

Found 428 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))
BDBM292711
PNG
(US10106501, Example A)
Show SMILES COCCN1CCN(CC1)C(=O)c1ccc(Cl)c(Cc2cc3c(C)cc(cc3n2C)C(F)(F)F)c1Cl
Show InChI InChI=1S/C26H28Cl2F3N3O2/c1-16-12-17(26(29,30)31)13-23-20(16)14-18(32(23)2)15-21-22(27)5-4-19(24(21)28)25(35)34-8-6-33(7-9-34)10-11-36-3/h4-5,12-14H,6-11,15H2,1-3H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292722
PNG
(US10106501, Example AQ-5)
Show SMILES C[C@H]1CN(CC[C@H]1C(O)=O)C(=O)c1ccc(Cl)c(C(=O)c2cc3c(C)cc(cc3n2C)C(F)(F)F)c1Cl
Show InChI InChI=1S/C26H23Cl2F3N2O4/c1-12-8-14(26(29,30)31)9-19-17(12)10-20(32(19)3)23(34)21-18(27)5-4-16(22(21)28)24(35)33-7-6-15(25(36)37)13(2)11-33/h4-5,8-10,13,15H,6-7,11H2,1-3H3,(H,36,37)/t13-,15+/m0/s1
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292731
PNG
(US10106501, Example B-8)
Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4C[C@H]5[C@@H](C4)C5C(O)=O)c3Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C25H21Cl2F3N2O3/c1-11-5-12(25(28,29)30)6-20-15(11)7-13(31(20)2)8-16-19(26)4-3-14(22(16)27)23(33)32-9-17-18(10-32)21(17)24(34)35/h3-7,17-18,21H,8-10H2,1-2H3,(H,34,35)/t17-,18+,21?
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292741
PNG
(US10106501, Example B-18)
Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CC5(CC(C5)C(O)=O)C4)c3Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C26H23Cl2F3N2O3/c1-13-5-15(26(29,30)31)6-21-18(13)7-16(32(21)2)8-19-20(27)4-3-17(22(19)28)23(34)33-11-25(12-33)9-14(10-25)24(35)36/h3-7,14H,8-12H2,1-2H3,(H,35,36)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292757
PNG
(US10106501, Example D)
Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C23H21Cl2F3N2O2/c1-13-9-14(23(26,27)28)10-20-17(13)11-15(29(20)2)12-18-19(24)4-3-16(21(18)25)22(31)30-5-7-32-8-6-30/h3-4,9-11H,5-8,12H2,1-2H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292765
PNG
(US10106501, Example DJ1-2)
Show SMILES C[C@@H]1CN(CC[C@@H]1C(O)=O)C(=O)c1ccc(Cl)c(C(=O)n2cc(C)c3cc(cc(C)c23)C(F)(F)F)c1Cl
Show InChI InChI=1S/C26H23Cl2F3N2O4/c1-12-8-15(26(29,30)31)9-18-14(3)11-33(22(12)18)24(35)20-19(27)5-4-17(21(20)28)23(34)32-7-6-16(25(36)37)13(2)10-32/h4-5,8-9,11,13,16H,6-7,10H2,1-3H3,(H,36,37)/t13-,16+/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292775
PNG
(US10106501, Example DX)
Show SMILES Cc1cc(OC(F)(F)F)cc2n(C)cc(Cc3c(Cl)cnc(C(=O)N4CCC(CC(O)=O)CC4)c3Cl)c12
Show InChI InChI=1S/C25H24Cl2F3N3O4/c1-13-7-16(37-25(28,29)30)10-19-21(13)15(12-32(19)2)9-17-18(26)11-31-23(22(17)27)24(36)33-5-3-14(4-6-33)8-20(34)35/h7,10-12,14H,3-6,8-9H2,1-2H3,(H,34,35)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292787
PNG
(US10106501, Example EG-2)
Show SMILES C[C@H]1CN(CC[C@H]1C(O)=O)C(=O)c1ccc(Cl)c(Cn2cc(C)c3cc(OC(F)(F)F)cc(C)c23)c1Cl
Show InChI InChI=1S/C26H25Cl2F3N2O4/c1-13-8-16(37-26(29,30)31)9-19-15(3)11-33(23(13)19)12-20-21(27)5-4-18(22(20)28)24(34)32-7-6-17(25(35)36)14(2)10-32/h4-5,8-9,11,14,17H,6-7,10,12H2,1-3H3,(H,35,36)/t14-,17+/m0/s1
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292802
PNG
(US10106501, Example EL)
Show SMILES Cc1cc(OC(F)(F)F)cc2ccn(C(=O)c3c(Cl)ccc(C(=O)N4CCC(CC(O)=O)CC4)c3Cl)c12
Show InChI InChI=1S/C25H21Cl2F3N2O5/c1-13-10-16(37-25(28,29)30)12-15-6-9-32(22(13)15)24(36)20-18(26)3-2-17(21(20)27)23(35)31-7-4-14(5-8-31)11-19(33)34/h2-3,6,9-10,12,14H,4-5,7-8,11H2,1H3,(H,33,34)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292803
PNG
(US10106501, Example EL-1)
Show SMILES Cc1cc(OC(F)(F)F)cc2ccn(C(=O)c3c(Cl)ccc(C(=O)N4CC5(CC(CC(O)=O)C5)C4)c3Cl)c12
Show InChI InChI=1S/C26H21Cl2F3N2O5/c1-13-6-16(38-26(29,30)31)8-15-4-5-33(22(13)15)24(37)20-18(27)3-2-17(21(20)28)23(36)32-11-25(12-32)9-14(10-25)7-19(34)35/h2-6,8,14H,7,9-12H2,1H3,(H,34,35)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292808
PNG
(US10106501, Example EQ)
Show SMILES Cc1cn(C(=O)c2c(Cl)ncc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)c2c(C)cc(cc12)C(F)(F)F
Show InChI InChI=1S/C25H22Cl2F3N3O4/c1-12-7-15(25(28,29)30)9-16-13(2)11-33(21(12)16)24(37)19-20(26)17(10-31-22(19)27)23(36)32-5-3-14(4-6-32)8-18(34)35/h7,9-11,14H,3-6,8H2,1-2H3,(H,34,35)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292816
PNG
(US10106501, Example EY)
Show SMILES Cc1c(ccc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC(O)=O)CC4)c3Cl)cc12)C#N
Show InChI InChI=1S/C26H25Cl2N3O3/c1-15-17(14-29)3-6-23-20(15)12-18(30(23)2)13-21-22(27)5-4-19(25(21)28)26(34)31-9-7-16(8-10-31)11-24(32)33/h3-6,12,16H,7-11,13H2,1-2H3,(H,32,33)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292832
PNG
(US10106501, Example FF-2)
Show SMILES Cc1cc(OC(F)F)cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC4)C(O)=O)c3Cl)cc12
Show InChI InChI=1S/C25H24Cl2F2N2O4/c1-13-9-16(35-25(28)29)12-21-18(13)10-15(30(21)2)11-19-20(26)4-3-17(22(19)27)23(32)31-7-5-14(6-8-31)24(33)34/h3-4,9-10,12,14,25H,5-8,11H2,1-2H3,(H,33,34)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292837
PNG
(US10106501, Example FI-2 | US10106501, Example FI-...)
Show SMILES CC1CN(CCC1C(O)=O)C(=O)c1ccc(Cl)c(Cc2cc3ccc(OC(F)(F)F)cc3n2C)c1Cl
Show InChI InChI=1S/C25H23Cl2F3N2O4/c1-13-12-32(8-7-17(13)24(34)35)23(33)18-5-6-20(26)19(22(18)27)10-15-9-14-3-4-16(36-25(28,29)30)11-21(14)31(15)2/h3-6,9,11,13,17H,7-8,10,12H2,1-2H3,(H,34,35)
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US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292843
PNG
(US10106501, Example FN)
Show SMILES Cn1c(Cc2c(Cl)ccc(C(=O)N3CCC(CC3)C(O)=O)c2Cl)cc2c(F)cc(cc12)C1CC1
Show InChI InChI=1S/C26H25Cl2FN2O3/c1-30-17(13-20-22(29)10-16(11-23(20)30)14-2-3-14)12-19-21(27)5-4-18(24(19)28)25(32)31-8-6-15(7-9-31)26(33)34/h4-5,10-11,13-15H,2-3,6-9,12H2,1H3,(H,33,34)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292847
PNG
(US10106501, Example FR)
Show SMILES Cc1cn(Cc2c(Cl)cnc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)c2c(C)cc(cc12)C(F)(F)F
Show InChI InChI=1S/C25H24Cl2F3N3O3/c1-13-7-16(25(28,29)30)9-17-14(2)11-33(23(13)17)12-18-19(26)10-31-22(21(18)27)24(36)32-5-3-15(4-6-32)8-20(34)35/h7,9-11,15H,3-6,8,12H2,1-2H3,(H,34,35)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292861
PNG
(US10106501, Example GF)
Show SMILES Cc1cc(nc2n(C)c(Cc3c(Cl)ncc(C(=O)N4CCOCC4)c3Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C21H19Cl2F3N4O2/c1-11-7-16(21(24,25)26)28-19-13(11)8-12(29(19)2)9-14-17(22)15(10-27-18(14)23)20(31)30-3-5-32-6-4-30/h7-8,10H,3-6,9H2,1-2H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292865
PNG
(US10106501, Example GN)
Show SMILES Cn1c(Cc2c(Cl)ncc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)cc2c(F)cc(cc12)C1CC1
Show InChI InChI=1S/C26H26Cl2FN3O3/c1-31-17(11-18-21(29)9-16(10-22(18)31)15-2-3-15)12-19-24(27)20(13-30-25(19)28)26(35)32-6-4-14(5-7-32)8-23(33)34/h9-11,13-15H,2-8,12H2,1H3,(H,33,34)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293062
PNG
(US10106501, Example AI1 | cis-4-(2,4-dichloro-3-((...)
Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(O[C@H]4C[C@H](C4)C(O)=O)c3Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C23H20Cl2F3NO3/c1-11-5-13(23(26,27)28)8-19-16(11)9-14(29(19)2)10-17-18(24)3-4-20(21(17)25)32-15-6-12(7-15)22(30)31/h3-5,8-9,12,15H,6-7,10H2,1-2H3,(H,30,31)/t12-,15+
PDB

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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293094
PNG
(US10106501, Example BA)
Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(C(F)C4)C(O)=O)c3Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C25H22Cl2F4N2O3/c1-12-7-13(25(29,30)31)8-21-17(12)9-14(32(21)2)10-18-19(26)4-3-16(22(18)27)23(34)33-6-5-15(24(35)36)20(28)11-33/h3-4,7-9,15,20H,5-6,10-11H2,1-2H3,(H,35,36)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293227
PNG
(US10106501, Example CT-6)
Show SMILES COC1CCN(CC1)C(=O)c1ccc(Cl)c(Cc2nc3c(C)cc(cn3c2C)C(F)(F)F)c1Cl
Show InChI InChI=1S/C24H24Cl2F3N3O2/c1-13-10-15(24(27,28)29)12-32-14(2)20(30-22(13)32)11-18-19(25)5-4-17(21(18)26)23(33)31-8-6-16(34-3)7-9-31/h4-5,10,12,16H,6-9,11H2,1-3H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293255
PNG
(US10106501, Example DL)
Show SMILES Cc1cn(Cc2c(Cl)ccc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)c2c(C)cc(cc12)C#N
Show InChI InChI=1S/C26H25Cl2N3O3/c1-15-9-18(12-29)10-20-16(2)13-31(25(15)20)14-21-22(27)4-3-19(24(21)28)26(34)30-7-5-17(6-8-30)11-23(32)33/h3-4,9-10,13,17H,5-8,11,14H2,1-2H3,(H,32,33)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292762
PNG
(US10106501, Example DH1-1)
Show SMILES C[C@@H]1CN(CC[C@@H]1C(O)=O)C(=O)c1ccc(Cl)c(Cn2cc(C)c3cc(cc(C)c23)C(F)(F)F)c1Cl
Show InChI InChI=1S/C26H25Cl2F3N2O3/c1-13-8-16(26(29,30)31)9-19-15(3)11-33(23(13)19)12-20-21(27)5-4-18(22(20)28)24(34)32-7-6-17(25(35)36)14(2)10-32/h4-5,8-9,11,14,17H,6-7,10,12H2,1-3H3,(H,35,36)/t14-,17+/m1/s1
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292785
PNG
(US10106501, Example EG)
Show SMILES Cc1cn(Cc2c(Cl)ccc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)c2c(C)cc(OC(F)(F)F)cc12
Show InChI InChI=1S/C26H25Cl2F3N2O4/c1-14-9-17(37-26(29,30)31)11-19-15(2)12-33(24(14)19)13-20-21(27)4-3-18(23(20)28)25(36)32-7-5-16(6-8-32)10-22(34)35/h3-4,9,11-12,16H,5-8,10,13H2,1-2H3,(H,34,35)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292795
PNG
(US10106501, Example EI-5 | US10106501, Example EI-...)
Show SMILES OC(=O)CC1CCN(CC1)C(=O)c1ccc(Cl)c(Cn2ccc3cc(cc(Cl)c23)C(F)(F)F)c1Cl
Show InChI InChI=1S/C24H20Cl3F3N2O3/c25-18-2-1-16(23(35)31-6-3-13(4-7-31)9-20(33)34)21(27)17(18)12-32-8-5-14-10-15(24(28,29)30)11-19(26)22(14)32/h1-2,5,8,10-11,13H,3-4,6-7,9,12H2,(H,33,34)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292804
PNG
(US10106501, Example EM)
Show SMILES Cc1cc(OC(F)F)cc2ccn(Cc3c(Cl)ccc(C(=O)N4CCC(CC(O)=O)CC4)c3Cl)c12
Show InChI InChI=1S/C25H24Cl2F2N2O4/c1-14-10-17(35-25(28)29)12-16-6-9-31(23(14)16)13-19-20(26)3-2-18(22(19)27)24(34)30-7-4-15(5-8-30)11-21(32)33/h2-3,6,9-10,12,15,25H,4-5,7-8,11,13H2,1H3,(H,32,33)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292821
PNG
(US10106501, Example F1-3)
Show SMILES C[C@H]1CN(CC[C@H]1C(O)=O)C(=O)c1ccc(Cl)c(Cc2cn(C)c3cc(cc(C)c23)C(F)(F)F)c1Cl
Show InChI InChI=1S/C26H25Cl2F3N2O3/c1-13-8-16(26(29,30)31)10-21-22(13)15(12-32(21)3)9-19-20(27)5-4-18(23(19)28)24(34)33-7-6-17(25(35)36)14(2)11-33/h4-5,8,10,12,14,17H,6-7,9,11H2,1-3H3,(H,35,36)/t14-,17+/m0/s1
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292823
PNG
(US10106501, Example FB)
Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ncc(C(=O)N4CCC5(CCOC5)CC4)c3Cl)cc12)C#N
Show InChI InChI=1S/C26H26Cl2N4O2/c1-16-9-17(13-29)10-22-19(16)11-18(31(22)2)12-20-23(27)21(14-30-24(20)28)25(33)32-6-3-26(4-7-32)5-8-34-15-26/h9-11,14H,3-8,12,15H2,1-2H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292830
PNG
(US10106501, Example FF)
Show SMILES Cc1cc(OC(F)F)cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC(O)=O)CC4)c3Cl)cc12
Show InChI InChI=1S/C26H26Cl2F2N2O4/c1-14-9-17(36-26(29)30)13-22-19(14)11-16(31(22)2)12-20-21(27)4-3-18(24(20)28)25(35)32-7-5-15(6-8-32)10-23(33)34/h3-4,9,11,13,15,26H,5-8,10,12H2,1-2H3,(H,33,34)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292835
PNG
(US10106501, Example FI)
Show SMILES Cn1c(Cc2c(Cl)ccc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)cc2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C25H23Cl2F3N2O4/c1-31-16(11-15-2-3-17(13-21(15)31)36-25(28,29)30)12-19-20(26)5-4-18(23(19)27)24(35)32-8-6-14(7-9-32)10-22(33)34/h2-5,11,13-14H,6-10,12H2,1H3,(H,33,34)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292842
PNG
(US10106501, Example FM)
Show SMILES Cn1c(Cc2c(Cl)ccc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)cc2c(F)cc(cc12)C1CC1
Show InChI InChI=1S/C27H27Cl2FN2O3/c1-31-18(14-21-23(30)11-17(12-24(21)31)16-2-3-16)13-20-22(28)5-4-19(26(20)29)27(35)32-8-6-15(7-9-32)10-25(33)34/h4-5,11-12,14-16H,2-3,6-10,13H2,1H3,(H,33,34)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292897
PNG
(US10106501, Example AA-4)
Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(O)CC4)c3Cl)cc12)C#N
Show InChI InChI=1S/C24H23Cl2N3O2/c1-14-9-15(13-27)10-22-19(14)11-16(28(22)2)12-20-21(25)4-3-18(23(20)26)24(31)29-7-5-17(30)6-8-29/h3-4,9-11,17,30H,5-8,12H2,1-2H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293073
PNG
(US10106501, Example AN)
Show SMILES Cc1cc(cc2n(C)c(cc12)C(=O)c1c(Cl)ccc(C(=O)N2CCC(O)CC2)c1Cl)C#N
Show InChI InChI=1S/C24H21Cl2N3O3/c1-13-9-14(12-27)10-19-17(13)11-20(28(19)2)23(31)21-18(25)4-3-16(22(21)26)24(32)29-7-5-15(30)6-8-29/h3-4,9-11,15,30H,5-8H2,1-2H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293075
PNG
(US10106501, Example AN-2)
Show SMILES Cc1cc(cc2n(C)c(cc12)C(=O)c1c(Cl)ccc(C(=O)N2CCN(CC2)C2COC2)c1Cl)C#N
Show InChI InChI=1S/C26H24Cl2N4O3/c1-15-9-16(12-29)10-21-19(15)11-22(30(21)2)25(33)23-20(27)4-3-18(24(23)28)26(34)32-7-5-31(6-8-32)17-13-35-14-17/h3-4,9-11,17H,5-8,13-14H2,1-2H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293076
PNG
(US10106501, Example AN-3)
Show SMILES Cc1cc(cc2n(C)c(cc12)C(=O)c1c(Cl)ccc(C(=O)N2CCC(CC2)C(C)(C)CO)c1Cl)C#N
Show InChI InChI=1S/C28H29Cl2N3O3/c1-16-11-17(14-31)12-22-20(16)13-23(32(22)4)26(35)24-21(29)6-5-19(25(24)30)27(36)33-9-7-18(8-10-33)28(2,3)15-34/h5-6,11-13,18,34H,7-10,15H2,1-4H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293082
PNG
(US10106501, Example AQ)
Show SMILES Cc1cc(cc2n(C)c(cc12)C(=O)c1c(Cl)ccc(C(=O)N2CCC(CC(O)=O)CC2)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H23Cl2F3N2O4/c1-13-9-15(26(29,30)31)11-19-17(13)12-20(32(19)2)24(36)22-18(27)4-3-16(23(22)28)25(37)33-7-5-14(6-8-33)10-21(34)35/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,34,35)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293126
PNG
(US10106501, Example BJ-18)
Show SMILES COCCC1CCN(CC1)C(=O)c1ccc(Cl)c(Cc2nc3c(C)cc(cc3n2C)C(F)(F)F)c1Cl
Show InChI InChI=1S/C26H28Cl2F3N3O2/c1-15-12-17(26(29,30)31)13-21-24(15)32-22(33(21)2)14-19-20(27)5-4-18(23(19)28)25(35)34-9-6-16(7-10-34)8-11-36-3/h4-5,12-13,16H,6-11,14H2,1-3H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293177
PNG
(US10106501, Example BU)
Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC(O)=O)CC4)c3Cl)nc12)C(F)(F)F
Show InChI InChI=1S/C25H24Cl2F3N3O3/c1-13-9-15(25(28,29)30)11-19-23(13)31-20(32(19)2)12-17-18(26)4-3-16(22(17)27)24(36)33-7-5-14(6-8-33)10-21(34)35/h3-4,9,11,14H,5-8,10,12H2,1-2H3,(H,34,35)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293214
PNG
((2,4-dichloro-3-((1,4-dimethyl-6-(trifluoromethyl)...)
Show SMILES Cc1cc(nc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C22H20Cl2F3N3O2/c1-12-9-18(22(25,26)27)28-20-15(12)10-13(29(20)2)11-16-17(23)4-3-14(19(16)24)21(31)30-5-7-32-8-6-30/h3-4,9-10H,5-8,11H2,1-2H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293229
PNG
(US10106501, Example CT-8)
Show SMILES Cc1c(Cc2c(Cl)ccc(C(=O)N3CCC(CC3)C3COC3)c2Cl)nc2c(C)cc(cn12)C(F)(F)F
Show InChI InChI=1S/C26H26Cl2F3N3O2/c1-14-9-18(26(29,30)31)11-34-15(2)22(32-24(14)34)10-20-21(27)4-3-19(23(20)28)25(35)33-7-5-16(6-8-33)17-12-36-13-17/h3-4,9,11,16-17H,5-8,10,12-13H2,1-2H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293243
PNG
(US10106501, Example CZ)
Show SMILES Cc1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)nc2c(C)cc(nn12)C(F)(F)F
Show InChI InChI=1S/C21H19Cl2F3N4O2/c1-11-9-17(21(24,25)26)28-30-12(2)16(27-19(11)30)10-14-15(22)4-3-13(18(14)23)20(31)29-5-7-32-8-6-29/h3-4,9H,5-8,10H2,1-2H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293251
PNG
(US10106501, Example DH)
Show SMILES Cc1cn(Cc2c(Cl)ccc(C(=O)N3CCC(CC3)C(O)=O)c2Cl)c2c(C)cc(cc12)C(F)(F)F
Show InChI InChI=1S/C25H23Cl2F3N2O3/c1-13-9-16(25(28,29)30)10-18-14(2)11-32(22(13)18)12-19-20(26)4-3-17(21(19)27)23(33)31-7-5-15(6-8-31)24(34)35/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,34,35)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM293253
PNG
(US10106501, Example DJ)
Show SMILES Cc1cn(C(=O)c2c(Cl)ccc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)c2c(C)cc(cc12)C(F)(F)F
Show InChI InChI=1S/C26H23Cl2F3N2O4/c1-13-9-16(26(29,30)31)11-18-14(2)12-33(23(13)18)25(37)21-19(27)4-3-17(22(21)28)24(36)32-7-5-15(6-8-32)10-20(34)35/h3-4,9,11-12,15H,5-8,10H2,1-2H3,(H,34,35)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292718
PNG
(US10106501, Example A1-11)
Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC4)S(C)(=O)=O)c3Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C25H25Cl2F3N2O3S/c1-14-10-15(25(28,29)30)11-22-19(14)12-16(31(22)2)13-20-21(26)5-4-18(23(20)27)24(33)32-8-6-17(7-9-32)36(3,34)35/h4-5,10-12,17H,6-9,13H2,1-3H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292740
PNG
(US10106501, Example B-17)
Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CC5(CC(CC(O)=O)C5)C4)c3Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C27H25Cl2F3N2O3/c1-14-5-16(27(30,31)32)7-22-19(14)8-17(33(22)2)9-20-21(28)4-3-18(24(20)29)25(37)34-12-26(13-34)10-15(11-26)6-23(35)36/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,35,36)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292746
PNG
(US10106501, Example B-23)
Show SMILES Cc1cc(cc2n(C)c(Cc3c(Cl)ccc(C(=O)N4CCC(CC4)C(C)(C)C(O)=O)c3Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C28H29Cl2F3N2O3/c1-15-11-17(28(31,32)33)12-23-20(15)13-18(34(23)4)14-21-22(29)6-5-19(24(21)30)25(36)35-9-7-16(8-10-35)27(2,3)26(37)38/h5-6,11-13,16H,7-10,14H2,1-4H3,(H,37,38)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292749
PNG
(US10106501, Example B-26)
Show SMILES C[C@H]1CN(CC[C@@H]1C(O)=O)C(=O)c1ccc(Cl)c(Cc2cc3c(C)cc(cc3n2C)C(F)(F)F)c1Cl
Show InChI InChI=1S/C26H25Cl2F3N2O3/c1-13-8-15(26(29,30)31)9-22-19(13)10-16(32(22)3)11-20-21(27)5-4-18(23(20)28)24(34)33-7-6-17(25(35)36)14(2)12-33/h4-5,8-10,14,17H,6-7,11-12H2,1-3H3,(H,35,36)/t14-,17-/m0/s1
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292750
PNG
(US10106501, Example GH)
Show SMILES Cc1cc(nc2n(C)c(Cc3c(Cl)cnc(C(=O)N4CCOCC4)c3Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C21H19Cl2F3N4O2/c1-11-7-16(21(24,25)26)28-19-13(11)8-12(29(19)2)9-14-15(22)10-27-18(17(14)23)20(31)30-3-5-32-6-4-30/h7-8,10H,3-6,9H2,1-2H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292758
PNG
(US10106501, Example D-1)
Show SMILES CCn1c(Cc2c(Cl)ccc(C(=O)N3CCOCC3)c2Cl)cc2c(C)cc(cc12)C(F)(F)F
Show InChI InChI=1S/C24H23Cl2F3N2O2/c1-3-31-16(12-18-14(2)10-15(11-21(18)31)24(27,28)29)13-19-20(25)5-4-17(22(19)26)23(32)30-6-8-33-9-7-30/h4-5,10-12H,3,6-9,13H2,1-2H3
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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


(Homo sapiens (Human))
BDBM292784
PNG
(US10106501, Example EF)
Show SMILES Cc1nn(Cc2c(Cl)ccc(C(=O)N3CCC(CC(O)=O)CC3)c2Cl)c2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C24H22Cl2F3N3O3/c1-13-17-11-15(24(27,28)29)2-5-20(17)32(30-13)12-18-19(25)4-3-16(22(18)26)23(35)31-8-6-14(7-9-31)10-21(33)34/h2-5,11,14H,6-10,12H2,1H3,(H,33,34)
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AbbVie Inc.

US Patent


Assay Description
The primary screen was performed by transient transactivation assays. These cell-based assays were carried out using Cos-7 cells transfected with a c...


US Patent US10106501 (2018)

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