Compile Data Set for Download or QSAR

Found 1970 hits of ic50 for UniProtKB: P51449   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382981 (US10273259, Example 692 | US10711020, Example 692) Show SMILES CCN1CC2N(CCC2(c2ccc(cc12)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(=O)[C@H]1CC[C@@](C)(CC1)C(O)=O |r,wU:40.48,wD:37.40,40.44,(3.51,-3.96,;1.97,-3.91,;1.24,-2.55,;-.3,-2.5,;-1.02,-1.15,;-2.52,-.78,;-2.63,.76,;-1.21,1.34,;-.21,.16,;1.33,.12,;2.14,1.42,;3.68,1.38,;4.41,.02,;3.59,-1.29,;2.06,-1.24,;5.94,-.03,;5.99,1.51,;7.48,-.08,;9.02,-.13,;7.44,-1.62,;7.53,1.46,;5.9,-1.57,;4.54,-2.3,;7.21,-2.38,;5.85,-3.11,;.46,1.55,;1.73,2.42,;.34,3.09,;-.41,2.82,;-1.94,2.71,;-2.81,3.98,;-2.14,5.37,;-3.01,6.64,;-.6,5.48,;.26,4.21,;-3.7,-1.77,;-3.42,-3.29,;-5.14,-1.25,;-5.42,.26,;-6.87,.79,;-8.04,-.21,;-9.08,.93,;-7.77,-1.72,;-6.32,-2.25,;-9.57,-.43,;-10.52,.78,;-10.14,-1.86,)| Show InChI InChI=1S/C31H32F8N2O5S/c1-3-40-17-24-28(47(45,46)21-7-5-20(32)6-8-21,14-15-41(24)25(42)18-10-12-27(2,13-11-18)26(43)44)22-9-4-19(16-23(22)40)29(33,30(34,35)36)31(37,38)39/h4-9,16,18,24H,3,10-15,17H2,1-2H3,(H,43,44)/t18-,24?,27-,28?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382638 (US10273259, Example 347 | US10273259, Example 348 ...) Show SMILES OC(=O)C1CCCC(C1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C29H27F8NO5S/c30-20-6-8-21(9-7-20)44(42,43)26-12-13-38(24(39)17-2-1-3-18(14-17)25(40)41)23(26)11-4-16-15-19(5-10-22(16)26)27(31,28(32,33)34)29(35,36)37/h5-10,15,17-18,23H,1-4,11-14H2,(H,40,41)/t17?,18?,23-,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM383117 ((4-fluoro-1,1-dioxidotetrahydro-2H-thiopyran-4-yl)...) Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)C1(F)CCS(=O)(=O)CC1 |r| Show InChI InChI=1S/C27H24F9NO5S2/c28-18-3-5-19(6-4-18)44(41,42)24-9-12-37(22(38)23(29)10-13-43(39,40)14-11-23)21(24)8-1-16-15-17(2-7-20(16)24)25(30,26(31,32)33)27(34,35)36/h2-7,15,21H,1,8-14H2/t21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382483 (US10273259, Example 192 | US10273259, Example 193 ...) Show SMILES FC(F)(F)C(F)(c1ccc2c(CCC3N(CCC23S(=O)(=O)c2ccc(Cl)cc2)C(=O)C2CCS(=O)(=O)C2)c1)C(F)(F)F Show InChI InChI=1S/C26H23ClF7NO5S2/c27-18-3-5-19(6-4-18)42(39,40)23-10-11-35(22(36)16-9-12-41(37,38)14-16)21(23)8-1-15-13-17(2-7-20(15)23)24(28,25(29,30)31)26(32,33)34/h2-7,13,16,21H,1,8-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327613 (US9663469, 155) Show SMILES OC(c1ccc2N([C@H](CC(=O)NCc3ccncc3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H22F7N3O4S/c27-19-3-6-21(7-4-19)41(39,40)36-20(14-23(37)35-15-16-9-11-34-12-10-16)5-1-17-13-18(2-8-22(17)36)24(38,25(28,29)30)26(31,32)33/h2-4,6-13,20,38H,1,5,14-15H2,(H,35,37)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382950 (US10273259, Example 661 | US10273259, Example 663 ...) Show SMILES COC(=O)C1CCN(CC1C)C(=O)N1CC2CCc3cc(ccc3C2(C1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C30H30F8N2O5S/c1-17-14-39(12-11-23(17)25(41)45-2)26(42)40-15-20-4-3-18-13-19(28(32,29(33,34)35)30(36,37)38)5-10-24(18)27(20,16-40)46(43,44)22-8-6-21(31)7-9-22/h5-10,13,17,20,23H,3-4,11-12,14-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382635 (US10273259, Example 344 | US10711020, Example 344) Show SMILES OC(=O)c1cc(Cl)c(cc1Cl)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C29H19Cl2F8NO5S/c30-21-13-19(25(42)43)22(31)12-18(21)24(41)40-10-9-26(46(44,45)17-5-3-16(32)4-6-17)20-7-2-15(11-14(20)1-8-23(26)40)27(33,28(34,35)36)29(37,38)39/h2-7,11-13,23H,1,8-10H2,(H,42,43)/t23-,26-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327523 ((S)-2-(1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3...) Show SMILES OCc1ccccc1NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H23F7N2O5S/c28-19-7-10-21(11-8-19)42(40,41)36-20(14-24(38)35-22-4-2-1-3-17(22)15-37)9-5-16-13-18(6-12-23(16)36)25(39,26(29,30)31)27(32,33)34/h1-4,6-8,10-13,20,37,39H,5,9,14-15H2,(H,35,38)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327631 (US9663469, 175) Show SMILES COC(C)(C)CNC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H27F7N2O5S/c1-22(2,39-3)14-33-21(35)13-18-8-4-15-12-16(23(36,24(27,28)29)25(30,31)32)5-11-20(15)34(18)40(37,38)19-9-6-17(26)7-10-19/h5-7,9-12,18,36H,4,8,13-14H2,1-3H3,(H,33,35)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327547 (US9663469, 86) Show SMILES CCCN1CC(CC1=O)NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H28F7N3O5S/c1-2-11-36-15-19(13-24(36)39)35-23(38)14-20-7-3-16-12-17(25(40,26(29,30)31)27(32,33)34)4-10-22(16)37(20)43(41,42)21-8-5-18(28)6-9-21/h4-6,8-10,12,19-20,40H,2-3,7,11,13-15H2,1H3,(H,35,38)/t19?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382866 (US10273259, Example 577 | US10711020, Example 577) Show SMILES OC12CCCC(CCC1)(C2)C(=O)N1CCC2(C1Cc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C30H29F8NO4S/c31-20-4-6-21(7-5-20)44(42,43)27-13-14-39(24(40)25-9-1-11-26(41,17-25)12-2-10-25)23(27)16-18-15-19(3-8-22(18)27)28(32,29(33,34)35)30(36,37)38/h3-8,15,23,41H,1-2,9-14,16-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM453187 (US10711020, Example 150) Show SMILES OC(=O)C1CC2(C1)CC(C2)C(=O)N1CCC2(C1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)Cc1ccccc1 |w:3.2,(8.82,4.42,;8.05,3.08,;8.82,1.75,;6.51,3.08,;5.42,4.17,;4.33,3.08,;5.42,1.99,;3.24,4.17,;2.15,3.08,;3.24,1.99,;.61,3.08,;-.16,4.42,;-.16,1.75,;.47,.34,;-.68,-.69,;-2.01,.08,;-1.69,1.59,;-2.83,2.62,;-4.3,2.14,;-4.62,.64,;-6.08,.16,;-6.4,-1.35,;-5.26,-2.38,;-3.79,-1.9,;-3.47,-.39,;-7.87,-1.82,;-7.39,-3.29,;-9.33,-2.3,;-10.8,-2.77,;-9.81,-.83,;-8.86,-3.76,;-8.34,-.36,;-7.31,.79,;-9.85,-.04,;-8.82,1.11,;-2.17,-1.45,;-3.08,-2.7,;-1.54,-2.86,;-.92,-2.36,;-1.09,-3.89,;.16,-4.79,;-0,-6.32,;-1.41,-6.95,;-2.65,-6.05,;-2.49,-4.51,)| Show InChI InChI=1S/C31H30F7NO5S/c32-29(30(33,34)35,31(36,37)38)22-7-8-23-19(12-22)6-9-24-28(23,45(43,44)17-18-4-2-1-3-5-18)10-11-39(24)25(40)20-13-27(14-20)15-21(16-27)26(41)42/h1-5,7-8,12,20-21,24H,6,9-11,13-17H2,(H,41,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327503 (US9663469, 42) Show SMILES OC(c1ccc2N([C@H](CC(=O)N3C[C@H]4OC(=O)O[C@H]4C3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H21F7N2O7S/c26-15-3-6-17(7-4-15)42(38,39)34-16(10-21(35)33-11-19-20(12-33)41-22(36)40-19)5-1-13-9-14(2-8-18(13)34)23(37,24(27,28)29)25(30,31)32/h2-4,6-9,16,19-20,37H,1,5,10-12H2/t16-,19-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM253270 (US9458171, 230) Show SMILES OC(=O)[C@H]1CCN(C1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C32H27F9N2O6S/c33-22-8-10-23(11-9-22)50(47,48)29(13-15-43(18-29)28(46)42-14-12-19(16-42)27(44)45)20-4-6-21(7-5-20)30(31(36,37)38,32(39,40)41)49-17-24-25(34)2-1-3-26(24)35/h1-11,19H,12-18H2,(H,44,45)/t19-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...				US Patent US9458171 (2016) BindingDB Entry DOI: 10.7270/Q2NK3CZM
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382549 (US10273259, Example 258 | US10711020, Example 258) Show SMILES CN1CCC(CC1=O)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,w:8.8| Show InChI InChI=1S/C28H26F8N2O4S/c1-37-12-10-17(15-23(37)39)24(40)38-13-11-25(43(41,42)20-6-4-19(29)5-7-20)21-8-3-18(14-16(21)2-9-22(25)38)26(30,27(31,32)33)28(34,35)36/h3-8,14,17,22H,2,9-13,15H2,1H3/t17?,22-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382654 (US10273259, Example 363 | US10711020, Example 363) Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)CC1CCS(=O)(=O)C1 |r,w:36.39| Show InChI InChI=1S/C27H25F8NO5S2/c28-19-3-5-20(6-4-19)43(40,41)24-10-11-36(23(37)13-16-9-12-42(38,39)15-16)22(24)8-1-17-14-18(2-7-21(17)24)25(29,26(30,31)32)27(33,34)35/h2-7,14,16,22H,1,8-13,15H2/t16?,22-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382696 (US10273259, Example 405 | US10711020, Example 405) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCC2(C1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r,wU:6.9,wD:3.2,(-10.88,-1.43,;-9.7,-.43,;-9.97,1.08,;-8.25,-.95,;-7.98,-2.47,;-6.53,-2.99,;-5.35,-2,;-5.63,-.48,;-7.08,.04,;-3.91,-2.52,;-3.63,-4.03,;-2.73,-1.52,;-2.84,.01,;-1.42,.59,;-.42,-.58,;-1.23,-1.89,;-.51,-3.25,;1.03,-3.3,;1.85,-1.99,;3.38,-2.03,;4.2,-.73,;3.47,.63,;1.93,.68,;1.12,-.63,;5.73,-.77,;5.78,.77,;7.27,-.82,;8.81,-.87,;7.23,-2.36,;7.32,.72,;5.69,-2.31,;4.33,-3.04,;7,-3.12,;5.64,-3.85,;.25,.81,;1.52,1.67,;.13,2.34,;-.62,2.08,;-2.15,1.97,;-3.02,3.24,;-2.35,4.63,;-3.22,5.9,;-.81,4.74,;-.14,6.13,;.05,3.47,)| Show InChI InChI=1S/C29H26Cl2F7NO5S/c30-21-9-7-19(14-22(21)31)45(43,44)26-11-12-39(24(40)15-1-3-16(4-2-15)25(41)42)23(26)10-5-17-13-18(6-8-20(17)26)27(32,28(33,34)35)29(36,37)38/h6-9,13-16,23H,1-5,10-12H2,(H,41,42)/t15-,16-,23?,26?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327524 (2-((S)-1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)CNC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r,wU:4.7,wD:15.15,1.0,(4.42,9.37,;4.42,7.83,;3.08,7.06,;3.08,5.52,;4.42,4.75,;5.75,5.52,;5.75,7.06,;4.42,3.21,;3.08,2.44,;3.08,.9,;1.75,3.21,;.42,2.44,;-.92,3.21,;-.92,4.75,;-2.25,2.44,;-2.25,.9,;-.92,.13,;-.92,-1.41,;-2.25,-2.18,;-2.25,-3.72,;-3.58,-4.49,;-4.92,-3.72,;-4.92,-2.18,;-3.58,-1.41,;-3.58,.13,;-4.92,.9,;-4.15,2.23,;-5.69,-.44,;-6.25,1.67,;-7.59,.9,;-8.92,1.67,;-8.92,3.21,;-10.25,3.98,;-7.59,3.98,;-6.25,3.21,;-3.58,-6.03,;-3.58,-7.57,;-5.12,-6.03,;-6.66,-6.03,;-5.12,-4.49,;-5.12,-7.57,;-2.04,-6.03,;-.5,-6.03,;-2.04,-4.49,;-2.04,-7.57,)| Show InChI InChI=1S/C28H30F7N3O6S/c29-18-3-10-22(11-4-18)45(43,44)38-20(14-24(40)36-15-25(41)37-19-5-8-21(39)9-6-19)7-1-16-13-17(2-12-23(16)38)26(42,27(30,31)32)28(33,34)35/h2-4,10-13,19-21,39,42H,1,5-9,14-15H2,(H,36,40)(H,37,41)/t19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327621 (US9663469, 163) Show SMILES OCC1CCN(CC1)C(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C26H27F7N2O5S/c27-19-3-6-21(7-4-19)41(39,40)35-20(14-23(37)34-11-9-16(15-36)10-12-34)5-1-17-13-18(2-8-22(17)35)24(38,25(28,29)30)26(31,32)33/h2-4,6-8,13,16,20,36,38H,1,5,9-12,14-15H2/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327564 (US9663469, 103) Show SMILES CC1[C@@H](COC1=O)NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H23F7N2O6S/c1-13-19(12-40-22(13)36)33-21(35)11-17-6-2-14-10-15(23(37,24(27,28)29)25(30,31)32)3-9-20(14)34(17)41(38,39)18-7-4-16(26)5-8-18/h3-5,7-10,13,17,19,37H,2,6,11-12H2,1H3,(H,33,35)/t13?,17-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327588 (US9663469, 129) Show SMILES CC(C)(O)[C@H](F)CNC(=O)CC1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)c(F)c1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H25F9N2O5S/c1-22(2,38)20(28)12-35-21(37)10-15-5-3-13-9-14(23(39,24(29,30)31)25(32,33)34)4-8-19(13)36(15)42(40,41)16-6-7-17(26)18(27)11-16/h4,6-9,11,15,20,38-39H,3,5,10,12H2,1-2H3,(H,35,37)/t15?,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382681 (US10273259, Example 390 | US10273259, Example 391 ...) Show SMILES CC1CC(CCS1(=O)=O)C(=O)N1CCC2(C1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H27ClF7NO5S2/c1-16-14-18(10-13-43(16,39)40)24(38)37-12-11-25(44(41,42)21-6-4-20(29)5-7-21)22-8-3-19(15-17(22)2-9-23(25)37)26(30,27(31,32)33)28(34,35)36/h3-8,15-16,18,23H,2,9-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382531 (US10273259, Example 240 | US10711020, Example 240) Show SMILES CN1CC(CC1=O)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,w:7.7| Show InChI InChI=1S/C27H24F8N2O4S/c1-36-14-16(13-22(36)38)23(39)37-11-10-24(42(40,41)19-6-4-18(28)5-7-19)20-8-3-17(12-15(20)2-9-21(24)37)25(29,26(30,31)32)27(33,34)35/h3-8,12,16,21H,2,9-11,13-14H2,1H3/t16?,21-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM383125 ((1R,2S)-4-(9b-((3-fluorophenyl)sulfonyl)-7-(perflu...) Show SMILES C[C@H]1CC(CC[C@H]1C(O)=O)C(=O)N1CCC2(C1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C30H29F8NO5S/c1-16-13-18(5-8-22(16)26(41)42)25(40)39-12-11-27(45(43,44)21-4-2-3-20(31)15-21)23-9-7-19(14-17(23)6-10-24(27)39)28(32,29(33,34)35)30(36,37)38/h2-4,7,9,14-16,18,22,24H,5-6,8,10-13H2,1H3,(H,41,42)/t16-,18?,22+,24?,27?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382530 (US10273259, Example 239 | US10711020, Example 239) Show SMILES CN1C(CCS1(=O)=O)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,w:8.8| Show InChI InChI=1S/C26H24F8N2O5S2/c1-35-20(10-13-42(35,38)39)22(37)36-12-11-23(43(40,41)18-6-4-17(27)5-7-18)19-8-3-16(14-15(19)2-9-21(23)36)24(28,25(29,30)31)26(32,33)34/h3-8,14,20-21H,2,9-13H2,1H3/t20?,21-,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382738 (US10273259, Example 447 | US10711020, Example 447) Show SMILES O[C@@H](C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H18F11NO4S/c25-14-3-5-15(6-4-14)41(39,40)20-9-10-36(19(38)18(37)22(27,28)29)17(20)8-1-12-11-13(2-7-16(12)20)21(26,23(30,31)32)24(33,34)35/h2-7,11,17-18,37H,1,8-10H2/t17-,18+,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382706 (US10273259, Example 415 | US10711020, Example 415) Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)C1CCOCC1 |r| Show InChI InChI=1S/C27H25F8NO4S/c28-19-3-5-20(6-4-19)41(38,39)24-11-12-36(23(37)16-9-13-40-14-10-16)22(24)8-1-17-15-18(2-7-21(17)24)25(29,26(30,31)32)27(33,34)35/h2-7,15-16,22H,1,8-14H2/t22-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327480 (2-((S)-1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3...) Show SMILES CC1(CNC(=O)C[C@@H]2CCc3cc(ccc3N2S(=O)(=O)c2ccc(F)cc2)C(O)(C(F)(F)F)C(F)(F)F)CNC(=O)O1 |r| Show InChI InChI=1S/C25H24F7N3O6S/c1-22(13-34-21(37)41-22)12-33-20(36)11-17-6-2-14-10-15(23(38,24(27,28)29)25(30,31)32)3-9-19(14)35(17)42(39,40)18-7-4-16(26)5-8-18/h3-5,7-10,17,38H,2,6,11-13H2,1H3,(H,33,36)(H,34,37)/t17-,22?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327707 (US9663469, 254) Show SMILES OC(c1ccc2N([C@H](CC(=O)N[C@H]3CCC[C@H]3C(=O)Nc3ccncc3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C31H29F7N4O5S/c32-20-6-9-23(10-7-20)48(46,47)42-22(8-4-18-16-19(5-11-26(18)42)29(45,30(33,34)35)31(36,37)38)17-27(43)41-25-3-1-2-24(25)28(44)40-21-12-14-39-15-13-21/h5-7,9-16,22,24-25,45H,1-4,8,17H2,(H,41,43)(H,39,40,44)/t22-,24+,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327556 (US9663469, 95) Show SMILES OC(c1ccc2N([C@H](CC(=O)NC3CCOCC3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H25F7N2O5S/c26-17-3-6-20(7-4-17)40(37,38)34-19(14-22(35)33-18-9-11-39-12-10-18)5-1-15-13-16(2-8-21(15)34)23(36,24(27,28)29)25(30,31)32/h2-4,6-8,13,18-19,36H,1,5,9-12,14H2,(H,33,35)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327563 (US9663469, 102 | US9663469, 120 | US9663469, 121) Show SMILES O[C@@H]1COC[C@H]1NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H23F7N2O6S/c25-15-3-6-17(7-4-15)40(37,38)33-16(10-21(35)32-18-11-39-12-20(18)34)5-1-13-9-14(2-8-19(13)33)22(36,23(26,27)28)24(29,30)31/h2-4,6-9,16,18,20,34,36H,1,5,10-12H2,(H,32,35)/t16-,18+,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382704 (US10273259, Example 413 | US10711020, Example 413) Show SMILES OCC1(CCNCC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H28F8N2O4S/c29-19-3-5-20(6-4-19)43(41,42)25-11-14-38(23(40)24(16-39)9-12-37-13-10-24)22(25)8-1-17-15-18(2-7-21(17)25)26(30,27(31,32)33)28(34,35)36/h2-7,15,22,37,39H,1,8-14,16H2/t22-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382997 (US10273259, Example 708 | US10711020, Example 708) Show SMILES CN1CC2N(CCC2(c2ccc(cc12)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(=O)C1CCS(=O)(=O)CC1 Show InChI InChI=1S/C27H26F8N2O5S2/c1-36-15-22-24(44(41,42)19-5-3-18(28)4-6-19,10-11-37(22)23(38)16-8-12-43(39,40)13-9-16)20-7-2-17(14-21(20)36)25(29,26(30,31)32)27(33,34)35/h2-7,14,16,22H,8-13,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382954 (US10273259, Example 665 | US10711020, Example 665) Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)NCC1CCS(=O)(=O)CC1 |r| Show InChI InChI=1S/C28H28F8N2O5S2/c29-20-3-5-21(6-4-20)45(42,43)25-11-12-38(24(39)37-16-17-9-13-44(40,41)14-10-17)23(25)8-1-18-15-19(2-7-22(18)25)26(30,27(31,32)33)28(34,35)36/h2-7,15,17,23H,1,8-14,16H2,(H,37,39)/t23-,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382805 (US10273259, Example 516 | US10711020, Example 516) Show SMILES Fc1ccc(cc1)S(=O)(=O)C12CCN(C1CNc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)C1CCS(=O)(=O)CC1 Show InChI InChI=1S/C26H24F8N2O5S2/c27-17-2-4-18(5-3-17)43(40,41)23-9-10-36(22(37)15-7-11-42(38,39)12-8-15)21(23)14-35-20-13-16(1-6-19(20)23)24(28,25(29,30)31)26(32,33)34/h1-6,13,15,21,35H,7-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382373 (US10273259, Example 85 | US10711020, Example 85) Show SMILES CC1(CCS(=O)(=O)CC1)C(=O)N1CCC2(C1COc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C27H26F7NO6S2/c1-23(10-13-42(37,38)14-11-23)22(36)35-12-9-24(43(39,40)18-5-3-2-4-6-18)19-8-7-17(15-20(19)41-16-21(24)35)25(28,26(29,30)31)27(32,33)34/h2-8,15,21H,9-14,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382702 (US10273259, Example 411 | US10711020, Example 411) Show SMILES OC(=O)C12CC(C1)(C2)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H23F8NO5S/c29-17-3-5-18(6-4-17)43(41,42)25-9-10-37(21(38)23-12-24(13-23,14-23)22(39)40)20(25)8-1-15-11-16(2-7-19(15)25)26(30,27(31,32)33)28(34,35)36/h2-7,11,20H,1,8-10,12-14H2,(H,39,40)/t20-,23?,24?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM253157 (US9458171, 117) Show SMILES Cc1cc(ccc1F)S(=O)(=O)[C@]1(CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:11.29,21.26,wD:18.19,(2.32,6.24,;2.8,4.77,;1.77,3.63,;2.25,2.16,;3.75,1.84,;4.78,2.99,;4.31,4.45,;5.34,5.6,;1.22,1.02,;2.36,-.01,;.07,2.05,;.18,-.12,;-1.06,-1.03,;-.59,-2.49,;.95,-2.49,;1.43,-1.03,;1.86,-3.74,;3.39,-3.58,;1.23,-5.15,;-.3,-5.31,;-.92,-6.71,;-.02,-7.96,;1.51,-7.8,;2.14,-6.39,;-.65,-9.37,;.26,-10.61,;-2.18,-9.53,;-.85,1.02,;-.37,2.48,;-1.4,3.63,;-2.91,3.31,;-3.38,1.84,;-2.35,.7,;-3.94,4.45,;-4.97,5.6,;-5.08,3.42,;-6.23,2.39,;-6.11,4.57,;-4.05,2.28,;-2.79,5.48,;-1.65,6.51,;-1.76,4.34,;-3.82,6.63,)| Show InChI InChI=1S/C28H27F8NO5S/c1-16-14-21(10-11-22(16)29)43(41,42)25(12-13-37(15-25)23(38)17-2-4-18(5-3-17)24(39)40)19-6-8-20(9-7-19)26(30,27(31,32)33)28(34,35)36/h6-11,14,17-18H,2-5,12-13,15H2,1H3,(H,39,40)/t17-,18-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...				US Patent US9458171 (2016) BindingDB Entry DOI: 10.7270/Q2NK3CZM
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382555 (US10273259, Example 264 | US10711020, Example 264) Show SMILES CC(C)(CC(O)=O)C(=O)N1CCC2(C1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C27H25F8NO5S/c1-23(2,14-21(37)38)22(39)36-11-10-24(42(40,41)18-5-3-4-17(28)13-18)19-8-7-16(12-15(19)6-9-20(24)36)25(29,26(30,31)32)27(33,34)35/h3-5,7-8,12-13,20H,6,9-11,14H2,1-2H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM253311 (US9458171, 271) Show SMILES CN1CCN(CC1)C(=O)N1CCC(C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C32H30F9N3O4S/c1-42-15-17-43(18-16-42)28(45)44-14-13-29(20-44,49(46,47)24-11-9-23(33)10-12-24)21-5-7-22(8-6-21)30(31(36,37)38,32(39,40)41)48-19-25-26(34)3-2-4-27(25)35/h2-12H,13-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...				US Patent US9458171 (2016) BindingDB Entry DOI: 10.7270/Q2NK3CZM
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327649 (US9663469, 194) Show SMILES OC(c1ccc2N([C@H](CC(=O)NCC3CCS(=O)(=O)C3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H25F7N2O6S2/c26-18-3-6-20(7-4-18)42(39,40)34-19(12-22(35)33-13-15-9-10-41(37,38)14-15)5-1-16-11-17(2-8-21(16)34)23(36,24(27,28)29)25(30,31)32/h2-4,6-8,11,15,19,36H,1,5,9-10,12-14H2,(H,33,35)/t15?,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327508 (2-((S)-1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3...) Show SMILES CC1(O)CCN(C1)C(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C25H25F7N2O5S/c1-22(36)10-11-33(14-22)21(35)13-18-6-2-15-12-16(23(37,24(27,28)29)25(30,31)32)3-9-20(15)34(18)40(38,39)19-7-4-17(26)5-8-19/h3-5,7-9,12,18,36-37H,2,6,10-11,13-14H2,1H3/t18-,22?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327680 (US9663469, 227) Show SMILES OC(c1ccc2N([C@H](CC(=O)N3CC4NC(=O)c5ccccc5C4C3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C31H26F7N3O5S/c32-19-7-10-21(11-8-19)47(45,46)41-20(9-5-17-13-18(6-12-26(17)41)29(44,30(33,34)35)31(36,37)38)14-27(42)40-15-24-22-3-1-2-4-23(22)28(43)39-25(24)16-40/h1-4,6-8,10-13,20,24-25,44H,5,9,14-16H2,(H,39,43)/t20-,24?,25?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327705 (US9663469, 252) Show SMILES OC[C@H](O)[C@H]1CCCCN1C(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C27H29F7N2O6S/c28-18-6-9-20(10-7-18)43(41,42)36-19(14-24(39)35-12-2-1-3-22(35)23(38)15-37)8-4-16-13-17(5-11-21(16)36)25(40,26(29,30)31)27(32,33)34/h5-7,9-11,13,19,22-23,37-38,40H,1-4,8,12,14-15H2/t19-,22+,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327449 (2-((S)-1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3...) Show SMILES OC(c1ccc2N([C@H](CC(=O)NCC3CNC(=O)O3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H22F7N3O6S/c25-15-3-6-18(7-4-15)41(38,39)34-16(10-20(35)32-11-17-12-33-21(36)40-17)5-1-13-9-14(2-8-19(13)34)22(37,23(26,27)28)24(29,30)31/h2-4,6-9,16-17,37H,1,5,10-12H2,(H,32,35)(H,33,36)/t16-,17?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327745 ((�) 2-(4-((4-fluorophenyl)sulfonyl)-7-(1,1,...) Show SMILES CC(C)(O)CNC(=O)CC1CSc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H23F7N2O5S2/c1-20(2,34)12-31-19(33)10-15-11-38-18-9-13(21(35,22(25,26)27)23(28,29)30)3-8-17(18)32(15)39(36,37)16-6-4-14(24)5-7-16/h3-9,15,34-35H,10-12H2,1-2H3,(H,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327563 (US9663469, 102 | US9663469, 120 | US9663469, 121) Show SMILES O[C@@H]1COC[C@H]1NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C24H23F7N2O6S/c25-15-3-6-17(7-4-15)40(37,38)33-16(10-21(35)32-18-11-39-12-20(18)34)5-1-13-9-14(2-8-19(13)33)22(36,23(26,27)28)24(29,30)31/h2-4,6-9,16,18,20,34,36H,1,5,10-12H2,(H,32,35)/t16-,18+,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM327677 (US9663469, 224) Show SMILES OC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...				US Patent US9663469 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZN3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM253141 (US9458171, 101) Show SMILES OC(=O)C1CCC(O)(CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H25F8NO6S/c28-19-5-7-20(8-6-19)43(41,42)24(17-1-3-18(4-2-17)25(29,26(30,31)32)27(33,34)35)13-14-36(15-24)22(39)23(40)11-9-16(10-12-23)21(37)38/h1-8,16,40H,9-15H2,(H,37,38)/t16?,23?,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...				US Patent US9458171 (2016) BindingDB Entry DOI: 10.7270/Q2NK3CZM
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM382806 (US10273259, Example 517 | US10711020, Example 517) Show SMILES Fc1cccc(c1)S(=O)(=O)C12CCN(C1CNc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)C1CCS(=O)(=O)CC1 Show InChI InChI=1S/C26H24F8N2O5S2/c27-17-2-1-3-18(13-17)43(40,41)23-8-9-36(22(37)15-6-10-42(38,39)11-7-15)21(23)14-35-20-12-16(4-5-19(20)23)24(28,25(29,30)31)26(32,33)34/h1-5,12-13,15,21,35H,6-11,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...				US Patent US10711020 (2020) BindingDB Entry DOI: 10.7270/Q2N019JS
					More data for this Ligand-Target Pair

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