Compile Data Set for Download or QSAR

Found 221 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 3126   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392046 (US10301272, Example 6/44) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3CC(C2)O3)c(Cl)c1Cl Show InChI InChI=1S/C26H33Cl2N3O4S2/c1-26(2,3)30-37(33,34)20-10-9-18(21(27)22(20)28)23-19(11-15-7-5-4-6-8-15)29-24(36-23)25(32)31-13-16-12-17(14-31)35-16/h9-10,15-17,30H,4-8,11-14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392142 (US10301272, Example 15/4) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CS(=O)(=O)C2)c(Cl)c1Cl Show InChI InChI=1S/C24H31Cl2N3O5S3/c1-24(2,3)29-37(33,34)18-10-9-16(19(25)20(18)26)21-17(11-14-7-5-4-6-8-14)28-23(35-21)22(30)27-15-12-36(31,32)13-15/h9-10,14-15,29H,4-8,11-13H2,1-3H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392043 (US10301272, Example 6/41) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)S(C)(=O)=O)c(Cl)c1Cl |r,wU:27.28,wD:29.33,(8.18,-4.16,;7.41,-2.83,;5.87,-2.83,;6.64,-4.16,;8.18,-1.49,;7.41,-.16,;7.41,1.38,;8.75,.61,;5.87,-.16,;5.1,-1.49,;3.56,-1.49,;2.79,-.16,;1.25,-.16,;.35,1.09,;-1.12,.61,;-1.12,-.93,;.35,-1.41,;.75,-2.89,;-.34,-3.98,;-1.83,-3.58,;-2.92,-4.67,;-2.52,-6.16,;-1.03,-6.56,;.06,-5.47,;-2.21,1.7,;-1.81,3.19,;-3.69,1.3,;-4.78,2.39,;-6.32,2.39,;-6.32,3.93,;-4.78,3.93,;-7.41,5.02,;-7.41,6.56,;-8.75,4.25,;-7.41,3.48,;3.56,1.17,;2.79,2.51,;5.1,1.17,;5.87,2.51,)| Show InChI InChI=1S/C26H35Cl2N3O5S3/c1-26(2,3)31-39(35,36)20-11-10-18(21(27)22(20)28)23-19(12-15-8-6-5-7-9-15)30-25(37-23)24(32)29-16-13-17(14-16)38(4,33)34/h10-11,15-17,31H,5-9,12-14H2,1-4H3,(H,29,32)/t16-,17-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392033 (US10301272, Example 6/31) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CC2)c(Cl)c1Cl Show InChI InChI=1S/C24H31Cl2N3O3S2/c1-24(2,3)29-34(31,32)18-12-11-16(19(25)20(18)26)21-17(13-14-7-5-4-6-8-14)28-23(33-21)22(30)27-15-9-10-15/h11-12,14-15,29H,4-10,13H2,1-3H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392026 (US10301272, Example 6/24) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(cc1C(C)(C)O)-c1sc(nc1CC1CCCCC1)C(=O)NC1CSC1 Show InChI InChI=1S/C27H39N3O4S3/c1-26(2,3)30-37(33,34)22-12-11-18(14-20(22)27(4,5)32)23-21(13-17-9-7-6-8-10-17)29-25(36-23)24(31)28-19-15-35-16-19/h11-12,14,17,19,30,32H,6-10,13,15-16H2,1-5H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392144 (US10301272, Example 15/6) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c(Cl)c1Cl Show InChI InChI=1S/C26H33Cl2N3O5S3/c1-25(2,3)30-39(35,36)19-10-9-17(20(27)21(19)28)22-18(11-16-7-5-4-6-8-16)29-23(37-22)24(32)31-12-26(13-31)14-38(33,34)15-26/h9-10,16,30H,4-8,11-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392243 (US10301272, Example 202) Show SMILES CCOC(=O)c1nc(Cc2ccccc2)c(s1)-c1ccc(c2ccccc12)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C27H28N2O4S2/c1-5-33-26(30)25-28-22(17-18-11-7-6-8-12-18)24(34-25)21-15-16-23(20-14-10-9-13-19(20)21)35(31,32)29-27(2,3)4/h6-16,29H,5,17H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392032 (US10301272, Example 6/30) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CSC2)c(Cl)c1Cl Show InChI InChI=1S/C24H31Cl2N3O3S3/c1-24(2,3)29-35(31,32)18-10-9-16(19(25)20(18)26)21-17(11-14-7-5-4-6-8-14)28-23(34-21)22(30)27-15-12-33-13-15/h9-10,14-15,29H,4-8,11-13H2,1-3H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392036 (US10301272, Example 6/34) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2COC2)c(Cl)c1Cl Show InChI InChI=1S/C24H31Cl2N3O4S2/c1-24(2,3)29-35(31,32)18-10-9-16(19(25)20(18)26)21-17(11-14-7-5-4-6-8-14)28-23(34-21)22(30)27-15-12-33-13-15/h9-10,14-15,29H,4-8,11-13H2,1-3H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392145 (US10301272, Example 15/7) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NCc2ncc(s2)S(C)(=O)=O)c(Cl)c1Cl Show InChI InChI=1S/C26H32Cl2N4O5S4/c1-26(2,3)32-41(36,37)18-11-10-16(21(27)22(18)28)23-17(12-15-8-6-5-7-9-15)31-25(39-23)24(33)30-13-19-29-14-20(38-19)40(4,34)35/h10-11,14-15,32H,5-9,12-13H2,1-4H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392253 (US10301272, Example 300/1) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2-c2ccccc2)C(=O)NC2CCS(=O)(=O)CC2)c2ccccc12 Show InChI InChI=1S/C29H31N3O5S3/c1-29(2,3)32-40(36,37)24-14-13-23(21-11-7-8-12-22(21)24)26-25(19-9-5-4-6-10-19)31-28(38-26)27(33)30-20-15-17-39(34,35)18-16-20/h4-14,20,32H,15-18H2,1-3H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392013 (US10301272, Example 6/11) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CCOCC2)c2ccccc12 Show InChI InChI=1S/C30H39N3O4S2/c1-30(2,3)33-39(35,36)26-14-13-24(22-11-7-8-12-23(22)26)27-25(19-20-9-5-4-6-10-20)32-29(38-27)28(34)31-21-15-17-37-18-16-21/h7-8,11-14,20-21,33H,4-6,9-10,15-19H2,1-3H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392108 (US10301272, Example 9) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1sc(nc1CC1CCCCC1)C(=O)NC1CCOCC1 Show InChI InChI=1S/C27H36F3N3O4S2/c1-26(2,3)33-39(35,36)22-10-9-18(16-20(22)27(28,29)30)23-21(15-17-7-5-4-6-8-17)32-25(38-23)24(34)31-19-11-13-37-14-12-19/h9-10,16-17,19,33H,4-8,11-15H2,1-3H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392031 (US10301272, Example 6/29) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NCC(C)(C)O)c(Cl)c1Cl Show InChI InChI=1S/C25H35Cl2N3O4S2/c1-24(2,3)30-36(33,34)18-12-11-16(19(26)20(18)27)21-17(13-15-9-7-6-8-10-15)29-23(35-21)22(31)28-14-25(4,5)32/h11-12,15,30,32H,6-10,13-14H2,1-5H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392044 (US10301272, Example 6/42) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@H](C2)S(C)(=O)=O)c(Cl)c1Cl |r,wU:27.28,29.33,(8.29,-4.16,;7.52,-2.83,;5.98,-2.83,;6.75,-4.16,;8.29,-1.49,;7.52,-.16,;7.52,1.38,;8.85,.61,;5.98,-.16,;5.21,-1.49,;3.67,-1.49,;2.9,-.16,;1.36,-.16,;.45,1.09,;-1.01,.61,;-1.01,-.93,;.45,-1.41,;.85,-2.89,;-.24,-3.98,;-1.73,-3.58,;-2.82,-4.67,;-2.42,-6.16,;-.93,-6.56,;.16,-5.47,;-2.1,1.7,;-1.71,3.19,;-3.59,1.3,;-4.68,2.39,;-6.22,2.39,;-6.22,3.93,;-4.68,3.93,;-7.31,5.02,;-7.31,6.56,;-8.85,5.02,;-8.08,3.68,;3.67,1.17,;2.9,2.51,;5.21,1.17,;5.98,2.51,)| Show InChI InChI=1S/C26H35Cl2N3O5S3/c1-26(2,3)31-39(35,36)20-11-10-18(21(27)22(20)28)23-19(12-15-8-6-5-7-9-15)30-25(37-23)24(32)29-16-13-17(14-16)38(4,33)34/h10-11,15-17,31H,5-9,12-14H2,1-4H3,(H,29,32)/t16-,17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392138 (US10301272, Example 15 | US10301272, Example 16) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CS(=O)(=O)C2)c2ccccc12 Show InChI InChI=1S/C28H35N3O5S3/c1-28(2,3)31-39(35,36)24-14-13-22(20-11-7-8-12-21(20)24)25-23(15-18-9-5-4-6-10-18)30-27(37-25)26(32)29-19-16-38(33,34)17-19/h7-8,11-14,18-19,31H,4-6,9-10,15-17H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392241 (US10301272, Example 200/1) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(CC3CCCCC3)c(s2)-c2ccc(c(c2)C(F)(F)F)S(=O)(=O)NC(C)(C)C)cc1 Show InChI InChI=1S/C31H38F3N3O5S3/c1-5-44(39,40)23-14-11-21(12-15-23)18-27(38)36-29-35-25(17-20-9-7-6-8-10-20)28(43-29)22-13-16-26(24(19-22)31(32,33)34)45(41,42)37-30(2,3)4/h11-16,19-20,37H,5-10,17-18H2,1-4H3,(H,35,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392047 (US10301272, Example 6/45) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CCS(=O)(=O)CC3)c(Cl)c1Cl Show InChI InChI=1S/C28H37Cl2N3O5S3/c1-27(2,3)32-41(37,38)21-10-9-19(22(29)23(21)30)24-20(15-18-7-5-4-6-8-18)31-25(39-24)26(34)33-16-28(17-33)11-13-40(35,36)14-12-28/h9-10,18,32H,4-8,11-17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392252 (US10301272, Example 300) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2Cc2ccccc2)C(=O)NC2CCS(=O)(=O)CC2)c2ccccc12 Show InChI InChI=1S/C30H33N3O5S3/c1-30(2,3)33-41(37,38)26-14-13-24(22-11-7-8-12-23(22)26)27-25(19-20-9-5-4-6-10-20)32-29(39-27)28(34)31-21-15-17-40(35,36)18-16-21/h4-14,21,33H,15-19H2,1-3H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392096 (US10301272, Example 8/1) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(cc1C(C)(C)C)-c1sc(nc1CC1CCCCC1)C(=O)NC1CCOCC1 Show InChI InChI=1S/C30H45N3O4S2/c1-29(2,3)23-19-21(12-13-25(23)39(35,36)33-30(4,5)6)26-24(18-20-10-8-7-9-11-20)32-28(38-26)27(34)31-22-14-16-37-17-15-22/h12-13,19-20,22,33H,7-11,14-18H2,1-6H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392095 (US10301272, Example 8) Show SMILES CC(C)(C)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCCCC1)C(=O)NC1CCOCC1 Show InChI InChI=1S/C30H42N2O2S/c1-29(2,3)22-17-21(18-23(19-22)30(4)12-13-30)26-25(16-20-8-6-5-7-9-20)32-28(35-26)27(33)31-24-10-14-34-15-11-24/h17-20,24H,5-16H2,1-4H3,(H,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392101 (US10301272, Example 8/6) Show SMILES C[C@H](NC(=O)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCCCC1)C(=O)NCC(C)(C)O)C(F)(F)F |r| Show InChI InChI=1S/C29H38F3N3O3S/c1-17(29(30,31)32)34-24(36)20-13-19(14-21(15-20)28(4)10-11-28)23-22(12-18-8-6-5-7-9-18)35-26(39-23)25(37)33-16-27(2,3)38/h13-15,17-18,38H,5-12,16H2,1-4H3,(H,33,37)(H,34,36)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392020 (US10301272, Example 6/18) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NCC(C)(C)O)c(F)c1C(F)F Show InChI InChI=1S/C26H36F3N3O4S2/c1-25(2,3)32-38(35,36)18-12-11-16(20(27)19(18)22(28)29)21-17(13-15-9-7-6-8-10-15)31-24(37-21)23(33)30-14-26(4,5)34/h11-12,15,22,32,34H,6-10,13-14H2,1-5H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392245 (US10301272, Example 205) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2nc(Cc3ccccc3)c(s2)-c2ccc(c3ccccc23)S(=O)(=O)NC(C)(C)C)cc1 Show InChI InChI=1S/C34H35N3O5S3/c1-5-44(39,40)25-17-15-24(16-18-25)22-35-32(38)33-36-29(21-23-11-7-6-8-12-23)31(43-33)28-19-20-30(27-14-10-9-13-26(27)28)45(41,42)37-34(2,3)4/h6-20,37H,5,21-22H2,1-4H3,(H,35,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392012 (US10301272, Example 6/10) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC(C2)C(C)(C)C(O)=O)c2ccccc12 Show InChI InChI=1S/C32H41N3O5S2/c1-31(2,3)34-42(39,40)26-16-15-24(22-13-9-10-14-23(22)26)27-25(17-20-11-7-6-8-12-20)33-28(41-27)29(36)35-18-21(19-35)32(4,5)30(37)38/h9-10,13-16,20-21,34H,6-8,11-12,17-19H2,1-5H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392257 (US10301272, Example 300/5) Show SMILES CCCc1nc(sc1-c1ccc(c(Cl)c1Cl)S(=O)(=O)NC(C)(C)C)C(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C22H29Cl2N3O5S3/c1-5-6-15-19(33-21(26-15)20(28)25-13-9-11-34(29,30)12-10-13)14-7-8-16(18(24)17(14)23)35(31,32)27-22(2,3)4/h7-8,13,27H,5-6,9-12H2,1-4H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392161 (US10301272, Example 19/8) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NCC(C)(C)O)c2cccc(F)c12 Show InChI InChI=1S/C29H38FN3O4S2/c1-28(2,3)33-39(36,37)23-15-14-20(19-12-9-13-21(30)24(19)23)25-22(16-18-10-7-6-8-11-18)32-27(38-25)26(34)31-17-29(4,5)35/h9,12-15,18,33,35H,6-8,10-11,16-17H2,1-5H3,(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392004 (US10301272, Example 6/2) Show SMILES CC(C)(C)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCCCC1)C(=O)NCC1(CCOCC1)C(N)=O Show InChI InChI=1S/C32H45N3O3S/c1-30(2,3)23-17-22(18-24(19-23)31(4)10-11-31)26-25(16-21-8-6-5-7-9-21)35-28(39-26)27(36)34-20-32(29(33)37)12-14-38-15-13-32/h17-19,21H,5-16,20H2,1-4H3,(H2,33,37)(H,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392037 (US10301272, Example 6/35) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC2)C(=O)NC2CCS(=O)(=O)CC2)c(Cl)c1Cl Show InChI InChI=1S/C23H29Cl2N3O5S3/c1-23(2,3)28-36(32,33)17-7-6-15(18(24)19(17)25)20-16(12-13-4-5-13)27-22(34-20)21(29)26-14-8-10-35(30,31)11-9-14/h6-7,13-14,28H,4-5,8-12H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392126 (US10301272, Example 13) Show SMILES CC(C)(C)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C24H34N2O2S2/c1-23(2,3)18-13-17(14-19(15-18)24(4)10-11-24)21-20(12-16-8-6-5-7-9-16)26-22(29-21)30(25,27)28/h13-16H,5-12H2,1-4H3,(H2,25,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392042 (US10301272, Example 6/40) Show SMILES CSc1cnc(CNC(=O)c2nc(CC3CCCCC3)c(s2)-c2ccc(c(Cl)c2Cl)S(=O)(=O)NC(C)(C)C)s1 Show InChI InChI=1S/C26H32Cl2N4O3S4/c1-26(2,3)32-39(34,35)18-11-10-16(21(27)22(18)28)23-17(12-15-8-6-5-7-9-15)31-25(38-23)24(33)30-13-19-29-14-20(36-4)37-19/h10-11,14-15,32H,5-9,12-13H2,1-4H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392045 (US10301272, Example 6/43) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CCS(=O)(=O)CC2)c(Cl)c1Cl Show InChI InChI=1S/C26H35Cl2N3O5S3/c1-26(2,3)31-39(35,36)20-10-9-18(21(27)22(20)28)23-19(15-16-7-5-4-6-8-16)30-25(37-23)24(32)29-17-11-13-38(33,34)14-12-17/h9-10,16-17,31H,4-8,11-15H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392169 (US10301272, Example 21) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)C(=O)NCC(C)(C)O)c(Cl)c1Cl Show InChI InChI=1S/C23H31Cl2N3O4S2/c1-22(2,3)28-34(31,32)16-10-9-14(17(24)18(16)25)19-15(11-13-7-6-8-13)27-21(33-19)20(29)26-12-23(4,5)30/h9-10,13,28,30H,6-8,11-12H2,1-5H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392074 (US10301272, Example 7/7) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c(Cl)c1Cl |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;4.41,-3.2,;4.81,-4.69,)| Show InChI InChI=1S/C26H33Cl2N3O5S2/c1-26(2,3)31-38(35,36)19-10-9-17(20(27)21(19)28)22-18(11-14-7-5-4-6-8-14)30-24(37-22)23(32)29-16-12-15(13-16)25(33)34/h9-10,14-16,31H,4-8,11-13H2,1-3H3,(H,29,32)(H,33,34)/t15-,16-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392034 (US10301272, Example 6/32) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(CSC3)C2)c(Cl)c1Cl Show InChI InChI=1S/C26H33Cl2N3O3S3/c1-25(2,3)30-37(33,34)19-10-9-17(20(27)21(19)28)22-18(11-16-7-5-4-6-8-16)29-23(36-22)24(32)31-12-26(13-31)14-35-15-26/h9-10,16,30H,4-8,11-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392022 (US10301272, Example 6/20) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NN2CCOCC2)c(Cl)c1Cl Show InChI InChI=1S/C25H34Cl2N4O4S2/c1-25(2,3)30-37(33,34)19-10-9-17(20(26)21(19)27)22-18(15-16-7-5-4-6-8-16)28-24(36-22)23(32)29-31-11-13-35-14-12-31/h9-10,16,30H,4-8,11-15H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392014 (US10301272, Example 6/12) Show SMILES CC(NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CCOCC2)c2ccccc12)C(F)(F)F Show InChI InChI=1S/C29H34F3N3O4S2/c1-18(29(30,31)32)35-41(37,38)25-12-11-23(21-9-5-6-10-22(21)25)26-24(17-19-7-3-2-4-8-19)34-28(40-26)27(36)33-20-13-15-39-16-14-20/h5-6,9-12,18-20,35H,2-4,7-8,13-17H2,1H3,(H,33,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392254 (US10301272, Example 300/2) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2C2CCCCC2)C(=O)NC2CCS(=O)(=O)CC2)c2ccccc12 Show InChI InChI=1S/C29H37N3O5S3/c1-29(2,3)32-40(36,37)24-14-13-23(21-11-7-8-12-22(21)24)26-25(19-9-5-4-6-10-19)31-28(38-26)27(33)30-20-15-17-39(34,35)18-16-20/h7-8,11-14,19-20,32H,4-6,9-10,15-18H2,1-3H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392221 (US10301272, Example 100/18) Show SMILES CC(C)(C)c1cc(cc(c1)C1(C)CC1)-c1oc(nc1CC1CCCCC1)C(=O)NC1CCOCC1 Show InChI InChI=1S/C30H42N2O3/c1-29(2,3)22-17-21(18-23(19-22)30(4)12-13-30)26-25(16-20-8-6-5-7-9-20)32-28(35-26)27(33)31-24-10-14-34-15-11-24/h17-20,24H,5-16H2,1-4H3,(H,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392173 (US10301272, Example 21/4) Show SMILES CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(s1)-c1ccc(c(Cl)c1OC(F)F)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C26H36ClF2N3O5S2/c1-25(2,3)32-39(35,36)18-12-11-16(20(19(18)27)37-24(28)29)21-17(13-15-9-7-6-8-10-15)31-23(38-21)22(33)30-14-26(4,5)34/h11-12,15,24,32,34H,6-10,13-14H2,1-5H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392152 (US10301272, Example 18) Show SMILES CCNS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NCC(C)(C)O)c(Cl)c1Cl Show InChI InChI=1S/C23H31Cl2N3O4S2/c1-4-27-34(31,32)17-11-10-15(18(24)19(17)25)20-16(12-14-8-6-5-7-9-14)28-22(33-20)21(29)26-13-23(2,3)30/h10-11,14,27,30H,4-9,12-13H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392143 (US10301272, Example 15/5) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CS(=O)C2)c(Cl)c1Cl Show InChI InChI=1S/C24H31Cl2N3O4S3/c1-24(2,3)29-36(32,33)18-10-9-16(19(25)20(18)26)21-17(11-14-7-5-4-6-8-14)28-23(34-21)22(30)27-15-12-35(31)13-15/h9-10,14-15,29H,4-8,11-13H2,1-3H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392141 (US10301272, Example 15/3) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(cc1C(C)(C)O)-c1sc(nc1CC1CCCCC1)C(=O)NC1CS(=O)(=O)C1 Show InChI InChI=1S/C27H39N3O6S3/c1-26(2,3)30-39(35,36)22-12-11-18(14-20(22)27(4,5)32)23-21(13-17-9-7-6-8-10-17)29-25(37-23)24(31)28-19-15-38(33,34)16-19/h11-12,14,17,19,30,32H,6-10,13,15-16H2,1-5H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392110 (US10301272, Example 9/2) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1sc(nc1CC1CCCCC1)C(=O)N[C@H]1C[C@@H](C1)C(O)=O |r,wU:33.35,wD:35.40,(6.19,.46,;7.67,.06,;7.28,1.55,;8.76,1.15,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;2.92,-2.8,;4.43,-3.34,;4.83,-4.83,;5.22,-6.32,;6.36,-4.92,;3.34,-5.22,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-8.76,4.56,;-6.88,6.44,)| Show InChI InChI=1S/C27H34F3N3O5S2/c1-26(2,3)33-40(37,38)21-10-9-16(14-19(21)27(28,29)30)22-20(11-15-7-5-4-6-8-15)32-24(39-22)23(34)31-18-12-17(13-18)25(35)36/h9-10,14-15,17-18,33H,4-8,11-13H2,1-3H3,(H,31,34)(H,35,36)/t17-,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392023 (US10301272, Example 6/21) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NN2CCS(=O)(=O)CC2)c(Cl)c1Cl Show InChI InChI=1S/C25H34Cl2N4O5S3/c1-25(2,3)30-39(35,36)19-10-9-17(20(26)21(19)27)22-18(15-16-7-5-4-6-8-16)28-24(37-22)23(32)29-31-11-13-38(33,34)14-12-31/h9-10,16,30H,4-8,11-15H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392171 (US10301272, Example 21/2) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)C(=O)NCC(C)(C)O)c2ccccc12 Show InChI InChI=1S/C27H35N3O4S2/c1-26(2,3)30-36(33,34)22-14-13-20(18-11-6-7-12-19(18)22)23-21(15-17-9-8-10-17)29-25(35-23)24(31)28-16-27(4,5)32/h6-7,11-14,17,30,32H,8-10,15-16H2,1-5H3,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392024 (US10301272, Example 6/22) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(cc1C(C)(C)O)-c1sc(nc1CC1CCCCC1)C(=O)NC1CCOCC1 Show InChI InChI=1S/C29H43N3O5S2/c1-28(2,3)32-39(35,36)24-12-11-20(18-22(24)29(4,5)34)25-23(17-19-9-7-6-8-10-19)31-27(38-25)26(33)30-21-13-15-37-16-14-21/h11-12,18-19,21,32,34H,6-10,13-17H2,1-5H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392156 (US10301272, Example 19/3) Show SMILES COC(C1CCCCC1)c1nc(sc1-c1cc(cc(c1)C1(C)CC1)C(C)(C)C)C(=O)NC1CCOCC1 Show InChI InChI=1S/C31H44N2O3S/c1-30(2,3)22-17-21(18-23(19-22)31(4)13-14-31)27-25(26(35-5)20-9-7-6-8-10-20)33-29(37-27)28(34)32-24-11-15-36-16-12-24/h17-20,24,26H,6-16H2,1-5H3,(H,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392093 (US10301272, Example 7/26) Show SMILES CC1(C)COCCN1Cc1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CCS(=O)(=O)CC2)c2ccccc12 Show InChI InChI=1S/C33H43N3O4S2/c1-33(2)22-40-17-16-36(33)21-24-12-13-28(27-11-7-6-10-26(24)27)30-29(20-23-8-4-3-5-9-23)35-32(41-30)31(37)34-25-14-18-42(38,39)19-15-25/h6-7,10-13,23,25H,3-5,8-9,14-22H2,1-2H3,(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392016 (US10301272, Example 6/14) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NC2CSC2)c2ccccc12 Show InChI InChI=1S/C28H35N3O3S3/c1-28(2,3)31-37(33,34)24-14-13-22(20-11-7-8-12-21(20)24)25-23(15-18-9-5-4-6-10-18)30-27(36-25)26(32)29-19-16-35-17-19/h7-8,11-14,18-19,31H,4-6,9-10,15-17H2,1-3H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair

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