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Compile Data Set for Download or QSAR

Found 113 hits Enz. Inhib. hit(s) with all data for entry = 2444   
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))
BDBM365616
PNG
(US9868748, I-A1)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(OC(F)F)cc4)Cc3s2)cc1
Show InChI InChI=1S/C26H29F2N3O4S2/c1-4-37(33,34)20-11-7-17(8-12-20)13-22(32)29-26-30-23-21(36-26)15-31(24(23)16(2)3)14-18-5-9-19(10-6-18)35-25(27)28/h5-12,16,24-25H,4,13-15H2,1-3H3,(H,29,30,32)/t24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365618
PNG
(US9868748, I-A2)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H28F3N3O3S2/c1-4-37(34,35)20-11-7-17(8-12-20)13-22(33)30-25-31-23-21(36-25)15-32(24(23)16(2)3)14-18-5-9-19(10-6-18)26(27,28)29/h5-12,16,24H,4,13-15H2,1-3H3,(H,30,31,33)/t24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365619
PNG
(US9868748, I-A3)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3s2)cc1
Show InChI InChI=1S/C25H28ClN3O3S2/c1-4-34(31,32)20-11-7-17(8-12-20)13-22(30)27-25-28-23-21(33-25)15-29(24(23)16(2)3)14-18-5-9-19(26)10-6-18/h5-12,16,24H,4,13-15H2,1-3H3,(H,27,28,30)/t24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365620
PNG
(US9868748, I-A4)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(C#N)c(F)c4)Cc3s2)cc1
Show InChI InChI=1S/C26H27FN4O3S2/c1-4-36(33,34)20-9-6-17(7-10-20)12-23(32)29-26-30-24-22(35-26)15-31(25(24)16(2)3)14-18-5-8-19(13-28)21(27)11-18/h5-11,16,25H,4,12,14-15H2,1-3H3,(H,29,30,32)/t25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365621
PNG
(US9868748, I-A5)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(nc4)C#N)Cc3s2)cc1
Show InChI InChI=1S/C25H27N5O3S2/c1-4-35(32,33)20-9-6-17(7-10-20)11-22(31)28-25-29-23-21(34-25)15-30(24(23)16(2)3)14-18-5-8-19(12-26)27-13-18/h5-10,13,16,24H,4,11,14-15H2,1-3H3,(H,28,29,31)/t24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365622
PNG
(US9868748, I-A58 | US9868748, I-A6)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4cnc(nc4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C24H26F3N5O3S2/c1-4-37(34,35)17-7-5-15(6-8-17)9-19(33)30-23-31-20-18(36-23)13-32(21(20)14(2)3)12-16-10-28-22(29-11-16)24(25,26)27/h5-8,10-11,14,21H,4,9,12-13H2,1-3H3,(H,30,31,33)/t21-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365623
PNG
(US9868748, I-A7)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccccc4)Cc3s2)cc1
Show InChI InChI=1S/C25H29N3O3S2/c1-4-33(30,31)20-12-10-18(11-13-20)14-22(29)26-25-27-23-21(32-25)16-28(24(23)17(2)3)15-19-8-6-5-7-9-19/h5-13,17,24H,4,14-16H2,1-3H3,(H,26,27,29)/t24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365625
PNG
(US9868748, I-A8)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4cccc(c4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H28F3N3O3S2/c1-4-37(34,35)20-10-8-17(9-11-20)13-22(33)30-25-31-23-21(36-25)15-32(24(23)16(2)3)14-18-6-5-7-19(12-18)26(27,28)29/h5-12,16,24H,4,13-15H2,1-3H3,(H,30,31,33)/t24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365626
PNG
(US9868748, I-A9)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4nnc(o4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C22H24F3N5O4S2/c1-4-36(32,33)14-7-5-13(6-8-14)9-16(31)26-21-27-18-15(35-21)10-30(19(18)12(2)3)11-17-28-29-20(34-17)22(23,24)25/h5-8,12,19H,4,9-11H2,1-3H3,(H,26,27,31)/t19-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365627
PNG
(US9868748, I-A10)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ncc(Cl)cc4F)Cc3s2)cc1
Show InChI InChI=1S/C24H26ClFN4O3S2/c1-4-35(32,33)17-7-5-15(6-8-17)9-21(31)28-24-29-22-20(34-24)13-30(23(22)14(2)3)12-19-18(26)10-16(25)11-27-19/h5-8,10-11,14,23H,4,9,12-13H2,1-3H3,(H,28,29,31)/t23-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365628
PNG
(US9868748, I-A11)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(Cl)cn4)Cc3s2)cc1
Show InChI InChI=1S/C24H27ClN4O3S2/c1-4-34(31,32)19-9-5-16(6-10-19)11-21(30)27-24-28-22-20(33-24)14-29(23(22)15(2)3)13-18-8-7-17(25)12-26-18/h5-10,12,15,23H,4,11,13-14H2,1-3H3,(H,27,28,30)/t23-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365629
PNG
(US9868748, I-A12)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cn4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C25H27F3N4O3S2/c1-4-37(34,35)19-9-5-16(6-10-19)11-21(33)30-24-31-22-20(36-24)14-32(23(22)15(2)3)13-18-8-7-17(12-29-18)25(26,27)28/h5-10,12,15,23H,4,11,13-14H2,1-3H3,(H,30,31,33)/t23-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365630
PNG
(US9868748, I-A13)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4F)C#N)Cc3s2)cc1
Show InChI InChI=1S/C26H27FN4O3S2/c1-4-36(33,34)20-9-6-17(7-10-20)12-23(32)29-26-30-24-22(35-26)15-31(25(24)16(2)3)14-19-8-5-18(13-28)11-21(19)27/h5-11,16,25H,4,12,14-15H2,1-3H3,(H,29,30,32)/t25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365631
PNG
(US9868748, I-A14)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(F)cc4)Cc3s2)cc1
Show InChI InChI=1S/C25H28FN3O3S2/c1-4-34(31,32)20-11-7-17(8-12-20)13-22(30)27-25-28-23-21(33-25)15-29(24(23)16(2)3)14-18-5-9-19(26)10-6-18/h5-12,16,24H,4,13-15H2,1-3H3,(H,27,28,30)/t24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365632
PNG
(US9868748, I-A15)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3s2)cc1
Show InChI InChI=1S/C26H28N4O3S2/c1-4-35(32,33)21-11-9-18(10-12-21)13-23(31)28-26-29-24-22(34-26)16-30(25(24)17(2)3)15-20-7-5-19(14-27)6-8-20/h5-12,17,25H,4,13,15-16H2,1-3H3,(H,28,29,31)/t25-/m0/s1
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Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365633
PNG
(US9868748, I-A16)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C(=O)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C27H28F3N3O4S2/c1-4-39(36,37)20-11-7-17(8-12-20)13-22(34)31-26-32-23-21(38-26)15-33(24(23)16(2)3)14-18-5-9-19(10-6-18)25(35)27(28,29)30/h5-12,16,24H,4,13-15H2,1-3H3,(H,31,32,34)/t24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365634
PNG
(US9868748, I-A17)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3s2)cc1 |wU:25.28,wD:22.21,16.16,(-7.84,8.09,;-6.3,8.09,;-5.53,6.76,;-6.86,5.99,;-4.19,7.53,;-4.76,5.42,;-3.22,5.42,;-2.45,4.09,;-3.22,2.76,;-2.45,1.42,;-3.22,.09,;-4.76,.09,;-2.45,-1.25,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.41,1.46,;4.91,1.78,;2.37,2.61,;3.83,-1.25,;5.37,-1.25,;6.14,-2.58,;5.37,-3.91,;6.14,-5.25,;7.68,-5.25,;8.45,-3.91,;7.68,-2.58,;8.45,-6.58,;9.22,-7.91,;7.12,-7.35,;9.79,-5.81,;2.93,-2.49,;1.46,-2.02,;,-2.49,;-4.76,2.76,;-5.53,4.09,)|
Show InChI InChI=1S/C26H34F3N3O3S2/c1-4-37(34,35)20-11-7-17(8-12-20)13-22(33)30-25-31-23-21(36-25)15-32(24(23)16(2)3)14-18-5-9-19(10-6-18)26(27,28)29/h7-8,11-12,16,18-19,24H,4-6,9-10,13-15H2,1-3H3,(H,30,31,33)/t18-,19-,24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365635
PNG
(US9868748, I-A18)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4ccn(C)c(=O)c4)Cc3s2)cc1
Show InChI InChI=1S/C31H34N4O4S2/c1-5-41(38,39)25-12-8-21(9-13-25)16-27(36)32-31-33-29-26(40-31)19-35(30(29)20(2)3)18-22-6-10-23(11-7-22)24-14-15-34(4)28(37)17-24/h6-15,17,20,30H,5,16,18-19H2,1-4H3,(H,32,33,36)/t30-/m0/s1
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Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365636
PNG
(US9868748, I-A19)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4ccc(=O)n(C)c4)Cc3s2)cc1
Show InChI InChI=1S/C31H34N4O4S2/c1-5-41(38,39)25-13-8-21(9-14-25)16-27(36)32-31-33-29-26(40-31)19-35(30(29)20(2)3)17-22-6-10-23(11-7-22)24-12-15-28(37)34(4)18-24/h6-15,18,20,30H,5,16-17,19H2,1-4H3,(H,32,33,36)/t30-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365637
PNG
(US9868748, I-A20)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CCN(CC(F)(F)F)CC4)Cc3s2)cc1
Show InChI InChI=1S/C26H35F3N4O3S2/c1-4-38(35,36)20-7-5-18(6-8-20)13-22(34)30-25-31-23-21(37-25)15-33(24(23)17(2)3)14-19-9-11-32(12-10-19)16-26(27,28)29/h5-8,17,19,24H,4,9-16H2,1-3H3,(H,30,31,34)/t24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365638
PNG
(US9868748, I-A21 | US9868748, I-A33)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(c(C)n4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H29F3N4O3S2/c1-5-38(35,36)19-9-6-17(7-10-19)12-22(34)31-25-32-23-21(37-25)14-33(24(23)15(2)3)13-18-8-11-20(16(4)30-18)26(27,28)29/h6-11,15,24H,5,12-14H2,1-4H3,(H,31,32,34)/t24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365639
PNG
(US9868748, I-A22)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(n(C)c4)C(F)(F)F)Cc3s2)cc1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365640
PNG
(US9868748, I-A23)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](CC4)c4nnc(C)o4)Cc3s2)cc1 |wU:25.28,wD:16.16,(-7.84,8.09,;-6.3,8.09,;-5.53,6.76,;-6.86,5.99,;-4.19,7.53,;-4.76,5.42,;-3.22,5.42,;-2.45,4.09,;-3.22,2.76,;-2.45,1.42,;-3.22,.09,;-4.76,.09,;-2.45,-1.25,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.41,1.46,;4.91,1.78,;2.37,2.61,;3.83,-1.25,;5.37,-1.25,;6.14,-2.58,;5.37,-3.91,;6.14,-5.25,;7.68,-5.25,;8.45,-3.91,;7.68,-2.58,;8.45,-6.58,;7.83,-7.99,;8.97,-9.02,;10.31,-8.25,;11.71,-8.87,;9.99,-6.74,;2.93,-2.49,;1.46,-2.02,;,-2.49,;-4.76,2.76,;-5.53,4.09,)|
Show InChI InChI=1S/C28H37N5O4S2/c1-5-39(35,36)22-12-8-19(9-13-22)14-24(34)29-28-30-25-23(38-28)16-33(26(25)17(2)3)15-20-6-10-21(11-7-20)27-32-31-18(4)37-27/h8-9,12-13,17,20-21,26H,5-7,10-11,14-16H2,1-4H3,(H,29,30,34)/t20?,21-,26-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365641
PNG
(US9868748, I-A24)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2cc(Br)ccc2F)cc1
Show InChI InChI=1S/C26H29BrFN3O3S2/c1-5-36(33,34)19-9-6-17(7-10-19)12-23(32)29-26-30-24-22(35-26)14-31(25(24)15(2)3)16(4)20-13-18(27)8-11-21(20)28/h6-11,13,15-16,25H,5,12,14H2,1-4H3,(H,29,30,32)/t16-,25+/m1/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365642
PNG
(US9868748, I-A25)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2cc(Br)ccc2F)cc1
Show InChI InChI=1S/C26H29BrFN3O3S2/c1-5-36(33,34)19-9-6-17(7-10-19)12-23(32)29-26-30-24-22(35-26)14-31(25(24)15(2)3)16(4)20-13-18(27)8-11-21(20)28/h6-11,13,15-16,25H,5,12,14H2,1-4H3,(H,29,30,32)/t16-,25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365643
PNG
(US9868748, I-A26)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](OC4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C25H32F3N3O4S2/c1-4-37(33,34)18-8-5-16(6-9-18)11-21(32)29-24-30-22-19(36-24)13-31(23(22)15(2)3)12-17-7-10-20(35-14-17)25(26,27)28/h5-6,8-9,15,17,20,23H,4,7,10-14H2,1-3H3,(H,29,30,32)/t17?,20-,23+/m1/s1
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Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365644
PNG
(US9868748, I-A27)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@H](OC4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C25H32F3N3O4S2/c1-4-37(33,34)18-8-5-16(6-9-18)11-21(32)29-24-30-22-19(36-24)13-31(23(22)15(2)3)12-17-7-10-20(35-14-17)25(26,27)28/h5-6,8-9,15,17,20,23H,4,7,10-14H2,1-3H3,(H,29,30,32)/t17?,20-,23-/m0/s1
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Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365645
PNG
(US9868748, I-A28)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](CC4)C(F)F)Cc3s2)cc1 |wU:25.28,wD:16.16,(-7.84,8.09,;-6.3,8.09,;-5.53,6.76,;-6.86,5.99,;-4.19,7.53,;-4.76,5.42,;-3.22,5.42,;-2.45,4.09,;-3.22,2.76,;-2.45,1.42,;-3.22,.09,;-4.76,.09,;-2.45,-1.25,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.41,1.46,;4.91,1.78,;2.37,2.61,;3.83,-1.25,;5.37,-1.25,;6.14,-2.58,;5.37,-3.91,;6.14,-5.25,;7.68,-5.25,;8.45,-3.91,;7.68,-2.58,;8.45,-6.58,;7.68,-7.91,;9.22,-7.91,;2.93,-2.49,;1.46,-2.02,;,-2.49,;-4.76,2.76,;-5.53,4.09,)|
Show InChI InChI=1S/C26H35F2N3O3S2/c1-4-36(33,34)20-11-7-17(8-12-20)13-22(32)29-26-30-23-21(35-26)15-31(24(23)16(2)3)14-18-5-9-19(10-6-18)25(27)28/h7-8,11-12,16,18-19,24-25H,4-6,9-10,13-15H2,1-3H3,(H,29,30,32)/t18?,19-,24-/m0/s1
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Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365646
PNG
(US9868748, I-A29)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](N(C)C4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H35F3N4O3S2/c1-5-38(35,36)19-9-6-17(7-10-19)12-22(34)30-25-31-23-20(37-25)15-33(24(23)16(2)3)14-18-8-11-21(26(27,28)29)32(4)13-18/h6-7,9-10,16,18,21,24H,5,8,11-15H2,1-4H3,(H,30,31,34)/t18?,21-,24+/m1/s1
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Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365647
PNG
(US9868748, I-A30)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@H](N(C)C4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H35F3N4O3S2/c1-5-38(35,36)19-9-6-17(7-10-19)12-22(34)30-25-31-23-20(37-25)15-33(24(23)16(2)3)14-18-8-11-21(26(27,28)29)32(4)13-18/h6-7,9-10,16,18,21,24H,5,8,11-15H2,1-4H3,(H,30,31,34)/t18?,21-,24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365648
PNG
(US9868748, I-A31)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(nc4OC)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H29F3N4O4S2/c1-5-39(35,36)18-9-6-16(7-10-18)12-21(34)31-25-32-22-19(38-25)14-33(23(22)15(2)3)13-17-8-11-20(26(27,28)29)30-24(17)37-4/h6-11,15,23H,5,12-14H2,1-4H3,(H,31,32,34)/t23-/m0/s1
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Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365649
PNG
(US9868748, I-A32)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)C(C)c2c(F)cc(Cl)cc2F)cc1
Show InChI InChI=1S/C26H28ClF2N3O3S2/c1-5-37(34,35)18-8-6-16(7-9-18)10-22(33)30-26-31-24-21(36-26)13-32(25(24)14(2)3)15(4)23-19(28)11-17(27)12-20(23)29/h6-9,11-12,14-15,25H,5,10,13H2,1-4H3,(H,30,31,33)/t15?,25-/m0/s1
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Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365638
PNG
(US9868748, I-A21 | US9868748, I-A33)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(c(C)n4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H29F3N4O3S2/c1-5-38(35,36)19-9-6-17(7-10-19)12-22(34)31-25-32-23-21(37-25)14-33(24(23)15(2)3)13-18-8-11-20(16(4)30-18)26(27,28)29/h6-11,15,24H,5,12-14H2,1-4H3,(H,31,32,34)/t24-/m0/s1
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Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365651
PNG
(US9868748, I-A34)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H30F3N3O3S2/c1-5-38(35,36)21-12-6-18(7-13-21)14-23(34)31-26-32-24-22(37-26)15-33(25(24)16(2)3)17(4)19-8-10-20(11-9-19)27(28,29)30/h6-13,16-17,25H,5,14-15H2,1-4H3,(H,31,32,34)/t17-,25+/m1/s1
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Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365652
PNG
(US9868748, I-A35)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H30F3N3O3S2/c1-5-38(35,36)21-12-6-18(7-13-21)14-23(34)31-26-32-24-22(37-26)15-33(25(24)16(2)3)17(4)19-8-10-20(11-9-19)27(28,29)30/h6-13,16-17,25H,5,14-15H2,1-4H3,(H,31,32,34)/t17-,25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365653
PNG
(US9868748, I-A36)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2ccc(cc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C27H29F4N3O3S2/c1-5-39(36,37)19-9-6-17(7-10-19)12-23(35)32-26-33-24-22(38-26)14-34(25(24)15(2)3)16(4)20-11-8-18(13-21(20)28)27(29,30)31/h6-11,13,15-16,25H,5,12,14H2,1-4H3,(H,32,33,35)/t16-,25+/m1/s1
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Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365654
PNG
(US9868748, I-A37)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(cc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C27H29F4N3O3S2/c1-5-39(36,37)19-9-6-17(7-10-19)12-23(35)32-26-33-24-22(38-26)14-34(25(24)15(2)3)16(4)20-11-8-18(13-21(20)28)27(29,30)31/h6-11,13,15-16,25H,5,12,14H2,1-4H3,(H,32,33,35)/t16-,25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365655
PNG
(US9868748, I-A38)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2ccc(Cl)cc2F)cc1
Show InChI InChI=1S/C26H29ClFN3O3S2/c1-5-36(33,34)19-9-6-17(7-10-19)12-23(32)29-26-30-24-22(35-26)14-31(25(24)15(2)3)16(4)20-11-8-18(27)13-21(20)28/h6-11,13,15-16,25H,5,12,14H2,1-4H3,(H,29,30,32)/t16-,25+/m1/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365656
PNG
(US9868748, I-A39)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(Cl)cc2F)cc1
Show InChI InChI=1S/C26H29ClFN3O3S2/c1-5-36(33,34)19-9-6-17(7-10-19)12-23(32)29-26-30-24-22(35-26)14-31(25(24)15(2)3)16(4)20-11-8-18(27)13-21(20)28/h6-11,13,15-16,25H,5,12,14H2,1-4H3,(H,29,30,32)/t16-,25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365657
PNG
(US9868748, I-A40)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4nnnn4C)Cc3s2)cc1
Show InChI InChI=1S/C27H31N7O3S2/c1-5-39(36,37)21-12-8-18(9-13-21)14-23(35)28-27-29-24-22(38-27)16-34(25(24)17(2)3)15-19-6-10-20(11-7-19)26-30-31-32-33(26)4/h6-13,17,25H,5,14-16H2,1-4H3,(H,28,29,35)/t25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365658
PNG
(US9868748, I-A41)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(C[C@@H]4CCN(CO4)C(=O)OC(C)(C)C)Cc3s2)cc1
Show InChI InChI=1S/C28H40N4O6S2/c1-7-40(35,36)21-10-8-19(9-11-21)14-23(33)29-26-30-24-22(39-26)16-32(25(24)18(2)3)15-20-12-13-31(17-37-20)27(34)38-28(4,5)6/h8-11,18,20,25H,7,12-17H2,1-6H3,(H,29,30,33)/t20-,25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365659
PNG
(US9868748, I-A42)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4nnn(C)n4)Cc3s2)cc1
Show InChI InChI=1S/C27H31N7O3S2/c1-5-39(36,37)21-12-8-18(9-13-21)14-23(35)28-27-29-24-22(38-27)16-34(25(24)17(2)3)15-19-6-10-20(11-7-19)26-30-32-33(4)31-26/h6-13,17,25H,5,14-16H2,1-4H3,(H,28,29,35)/t25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365660
PNG
(US9868748, I-A43)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(C[C@H]4CN(CCO4)C(=O)OC(C)(C)C)Cc3s2)cc1
Show InChI InChI=1S/C28H40N4O6S2/c1-7-40(35,36)21-10-8-19(9-11-21)14-23(33)29-26-30-24-22(39-26)17-32(25(24)18(2)3)16-20-15-31(12-13-37-20)27(34)38-28(4,5)6/h8-11,18,20,25H,7,12-17H2,1-6H3,(H,29,30,33)/t20-,25+/m1/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365661
PNG
(US9868748, I-A44)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](CC4)C(=O)OC)Cc3s2)cc1 |wU:25.28,wD:16.16,(-7.84,8.09,;-6.3,8.09,;-5.53,6.76,;-6.86,5.99,;-4.19,7.53,;-4.76,5.42,;-3.22,5.42,;-2.45,4.09,;-3.22,2.76,;-2.45,1.42,;-3.22,.09,;-4.76,.09,;-2.45,-1.25,;-.91,-1.25,;;1.46,-.48,;2.93,,;3.41,1.46,;4.91,1.78,;2.37,2.61,;3.83,-1.25,;5.37,-1.25,;6.14,-2.58,;5.37,-3.91,;6.14,-5.25,;7.68,-5.25,;8.45,-3.91,;7.68,-2.58,;8.45,-6.58,;9.99,-6.58,;7.68,-7.91,;6.14,-7.91,;2.93,-2.49,;1.46,-2.02,;,-2.49,;-4.76,2.76,;-5.53,4.09,)|
Show InChI InChI=1S/C27H37N3O5S2/c1-5-37(33,34)21-12-8-18(9-13-21)14-23(31)28-27-29-24-22(36-27)16-30(25(24)17(2)3)15-19-6-10-20(11-7-19)26(32)35-4/h8-9,12-13,17,19-20,25H,5-7,10-11,14-16H2,1-4H3,(H,28,29,31)/t19?,20-,25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365662
PNG
(US9868748, I-A45)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4C#N)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C27H27F3N4O3S2/c1-4-39(36,37)21-9-5-17(6-10-21)11-23(35)32-26-33-24-22(38-26)15-34(25(24)16(2)3)14-18-7-8-20(27(28,29)30)12-19(18)13-31/h5-10,12,16,25H,4,11,14-15H2,1-3H3,(H,32,33,35)/t25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365663
PNG
(US9868748, I-A46)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ncc(cc4F)C#N)Cc3s2)cc1
Show InChI InChI=1S/C25H26FN5O3S2/c1-4-36(33,34)18-7-5-16(6-8-18)10-22(32)29-25-30-23-21(35-25)14-31(24(23)15(2)3)13-20-19(26)9-17(11-27)12-28-20/h5-9,12,15,24H,4,10,13-14H2,1-3H3,(H,29,30,32)/t24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365664
PNG
(US9868748, I-A47)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C25H29ClN4O3S2/c1-5-35(32,33)19-9-6-17(7-10-19)12-22(31)28-25-29-23-21(34-25)14-30(24(23)15(2)3)16(4)20-11-8-18(26)13-27-20/h6-11,13,15-16,24H,5,12,14H2,1-4H3,(H,28,29,31)/t16-,24+/m1/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365665
PNG
(US9868748, I-A48)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C25H29ClN4O3S2/c1-5-35(32,33)19-9-6-17(7-10-19)12-22(31)28-25-29-23-21(34-25)14-30(24(23)15(2)3)16(4)20-11-8-18(26)13-27-20/h6-11,13,15-16,24H,5,12,14H2,1-4H3,(H,28,29,31)/t16-,24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365666
PNG
(US9868748, I-A49)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2cc(C)c(cn2)C#N)cc1
Show InChI InChI=1S/C27H31N5O3S2/c1-6-37(34,35)21-9-7-19(8-10-21)12-24(33)30-27-31-25-23(36-27)15-32(26(25)16(2)3)18(5)22-11-17(4)20(13-28)14-29-22/h7-11,14,16,18,26H,6,12,15H2,1-5H3,(H,30,31,33)/t18-,26-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM365667
PNG
(US9868748, I-A50)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(C#N)c(C)n2)cc1
Show InChI InChI=1S/C27H31N5O3S2/c1-6-37(34,35)21-10-7-19(8-11-21)13-24(33)30-27-31-25-23(36-27)15-32(26(25)16(2)3)18(5)22-12-9-20(14-28)17(4)29-22/h7-12,16,18,26H,6,13,15H2,1-5H3,(H,30,31,33)/t18-,26-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


J Med Chem 45: 1399-401 (2002)


BindingDB Entry DOI: 10.7270/Q2W95CHZ
More data for this
Ligand-Target Pair
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