Compile Data Set for Download or QSAR

Found 278 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 [238-497] (Homo sapiens (Human))	BDBM175953 (US9688684, Compound 150: 7-Benzyl-8-(3-isopropyl-1...) Show SMILES CC(C)c1nn(cc1C1N(Cc2ccccc2)CCn2nnnc12)-c1ccccc1 Show InChI InChI=1S/C23H25N7/c1-17(2)21-20(16-30(25-21)19-11-7-4-8-12-19)22-23-24-26-27-29(23)14-13-28(22)15-18-9-5-3-6-10-18/h3-12,16-17,22H,13-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175965 (US9688684, Compound 162: 8-(1-Benzyl-3-isopropyl-1...) Show SMILES CC(C)c1nn(Cc2ccccc2)cc1C1N(Cc2cccs2)CCn2nnnc12 Show InChI InChI=1S/C22H25N7S/c1-16(2)20-19(15-28(24-20)13-17-7-4-3-5-8-17)21-22-23-25-26-29(22)11-10-27(21)14-18-9-6-12-30-18/h3-9,12,15-16,21H,10-11,13-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175966 (US9688684, Compound 163: 7-(3-Bromo-benzyl)-8-(3-f...) Show SMILES Fc1cccc(c1)C1N(Cc2cccc(Br)c2)CCn2nnnc12 Show InChI InChI=1S/C17H15BrFN5/c18-14-5-1-3-12(9-14)11-23-7-8-24-17(20-21-22-24)16(23)13-4-2-6-15(19)10-13/h1-6,9-10,16H,7-8,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175967 (US9688684, Compound 164: [4-(7-Benzyl-5,6,7,8-tetr...) Show SMILES CN(C)c1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C19H22N6/c1-23(2)17-10-8-16(9-11-17)18-19-20-21-22-25(19)13-12-24(18)14-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175899 (US9688684, Compound 96: 7-(3-Bromo-benzyl)-8-(4-fl...) Show SMILES Fc1ccc(cc1)C1N(Cc2cccc(Br)c2)CCn2nnnc12 Show InChI InChI=1S/C17H15BrFN5/c18-14-3-1-2-12(10-14)11-23-8-9-24-17(20-21-22-24)16(23)13-4-6-15(19)7-5-13/h1-7,10,16H,8-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175900 (US9688684, Compound 97: 8-(4-Chloro-phenyl)-7-(3-m...) Show SMILES Cc1cccc(CN2CCn3nnnc3C2c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C18H18ClN5/c1-13-3-2-4-14(11-13)12-23-9-10-24-18(20-21-22-24)17(23)15-5-7-16(19)8-6-15/h2-8,11,17H,9-10,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175901 (US9688684, Compound 98: 7-Benzyl-8-(4-butoxy-pheny...) Show SMILES CCCCOc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C21H25N5O/c1-2-3-15-27-19-11-9-18(10-12-19)20-21-22-23-24-26(21)14-13-25(20)16-17-7-5-4-6-8-17/h4-12,20H,2-3,13-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175901 (US9688684, Compound 98: 7-Benzyl-8-(4-butoxy-pheny...) Show SMILES CCCCOc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C21H25N5O/c1-2-3-15-27-19-11-9-18(10-12-19)20-21-22-23-24-26(21)14-13-25(20)16-17-7-5-4-6-8-17/h4-12,20H,2-3,13-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175902 (US9688684, Compound 99: 8-(4-Isopropoxy-phenyl)-7-...) Show SMILES CC(C)c1ccc(cc1)C1N(Cc2cccc(C)c2)CCn2nnnc12 Show InChI InChI=1S/C21H25N5/c1-15(2)18-7-9-19(10-8-18)20-21-22-23-24-26(21)12-11-25(20)14-17-6-4-5-16(3)13-17/h4-10,13,15,20H,11-12,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175903 (US9688684, Compound 100: 7-Benzyl-8-m-tolyl-5,6,7,...) Show SMILES Cc1cccc(c1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C18H19N5/c1-14-6-5-9-16(12-14)17-18-19-20-21-23(18)11-10-22(17)13-15-7-3-2-4-8-15/h2-9,12,17H,10-11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175904 (US9688684, Compound 101: 7-Benzyl-8-(3,5-difluoro-...) Show SMILES Fc1cc(F)cc(c1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C17H15F2N5/c18-14-8-13(9-15(19)10-14)16-17-20-21-22-24(17)7-6-23(16)11-12-4-2-1-3-5-12/h1-5,8-10,16H,6-7,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175905 (US9688684, Compound 102: 7-Benzyl-8-(4-fluoro-phen...) Show SMILES Fc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C17H16FN5/c18-15-8-6-14(7-9-15)16-17-19-20-21-23(17)11-10-22(16)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175906 (US9688684, Compound 103: 8-(4-Butoxy-phenyl)-7-(3-...) Show SMILES CCCCOc1ccc(cc1)C1N(Cc2cccc(C)c2)CCn2nnnc12 Show InChI InChI=1S/C22H27N5O/c1-3-4-14-28-20-10-8-19(9-11-20)21-22-23-24-25-27(22)13-12-26(21)16-18-7-5-6-17(2)15-18/h5-11,15,21H,3-4,12-14,16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175907 (US9688684, Compound 104: 7-(3-Bromo-benzyl)-8-(4-i...) Show SMILES CC(C)c1ccc(cc1)C1N(Cc2cccc(Br)c2)CCn2nnnc12 Show InChI InChI=1S/C20H22BrN5/c1-14(2)16-6-8-17(9-7-16)19-20-22-23-24-26(20)11-10-25(19)13-15-4-3-5-18(21)12-15/h3-9,12,14,19H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175908 (US9688684, Compound 105: 7-(3-Methyl-benzyl)-8-phe...) Show SMILES Cc1cccc(CN2CCn3nnnc3C2c2ccccc2)c1 Show InChI InChI=1S/C18H19N5/c1-14-6-5-7-15(12-14)13-22-10-11-23-18(19-20-21-23)17(22)16-8-3-2-4-9-16/h2-9,12,17H,10-11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175909 (US9688684, Compound 106: 8-(4-Chloro-phenyl)-7-thi...) Show SMILES Clc1ccc(cc1)C1N(Cc2cccs2)CCn2nnnc12 Show InChI InChI=1S/C15H14ClN5S/c16-12-5-3-11(4-6-12)14-15-17-18-19-21(15)8-7-20(14)10-13-2-1-9-22-13/h1-6,9,14H,7-8,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175910 (US9688684, Compound 107: 7-(3-Bromo-benzyl)-8-(3,5...) Show SMILES Cc1cc(C)cc(c1)C1N(Cc2cccc(Br)c2)CCn2nnnc12 Show InChI InChI=1S/C19H20BrN5/c1-13-8-14(2)10-16(9-13)18-19-21-22-23-25(19)7-6-24(18)12-15-4-3-5-17(20)11-15/h3-5,8-11,18H,6-7,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175911 (US9688684, Compound 108: 7-(3-Bromo-benzyl)-8-(2,5...) Show SMILES Fc1ccc(F)c(c1)C1N(Cc2cccc(Br)c2)CCn2nnnc12 Show InChI InChI=1S/C17H14BrF2N5/c18-12-3-1-2-11(8-12)10-24-6-7-25-17(21-22-23-25)16(24)14-9-13(19)4-5-15(14)20/h1-5,8-9,16H,6-7,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175912 (US9688684, Compound 109: {4-[7-(3-Bromo-benzyl)-5,...) Show SMILES CN(C)c1ccc(cc1)C1N(Cc2cccc(Br)c2)CCn2nnnc12 Show InChI InChI=1S/C19H21BrN6/c1-24(2)17-8-6-15(7-9-17)18-19-21-22-23-26(19)11-10-25(18)13-14-4-3-5-16(20)12-14/h3-9,12,18H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175913 (US9688684, Compound 110: 7-(3-Bromo-benzyl)-8-(4-i...) Show SMILES CC(C)Oc1ccc(cc1)C1N(Cc2cccc(Br)c2)CCn2nnnc12 Show InChI InChI=1S/C20H22BrN5O/c1-14(2)27-18-8-6-16(7-9-18)19-20-22-23-24-26(20)11-10-25(19)13-15-4-3-5-17(21)12-15/h3-9,12,14,19H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175946 (US9688684, Compound 143: 7-(3-Chloro-benzyl)-8-(3-...) Show SMILES CC(C)c1nn(cc1C1N(Cc2cccc(Cl)c2)CCn2nnnc12)-c1ccccc1 Show InChI InChI=1S/C23H24ClN7/c1-16(2)21-20(15-31(26-21)19-9-4-3-5-10-19)22-23-25-27-28-30(23)12-11-29(22)14-17-7-6-8-18(24)13-17/h3-10,13,15-16,22H,11-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175946 (US9688684, Compound 143: 7-(3-Chloro-benzyl)-8-(3-...) Show SMILES CC(C)c1nn(cc1C1N(Cc2cccc(Cl)c2)CCn2nnnc12)-c1ccccc1 Show InChI InChI=1S/C23H24ClN7/c1-16(2)21-20(15-31(26-21)19-9-4-3-5-10-19)22-23-25-27-28-30(23)12-11-29(22)14-17-7-6-8-18(24)13-17/h3-10,13,15-16,22H,11-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175817 (US9688684, Compound 14: {4-[7-(2-Fluoro-benzyl)-5,...) Show SMILES CN(C)c1ccc(cc1)C1N(Cc2ccccc2F)CCn2nnnc12 Show InChI InChI=1S/C19H21FN6/c1-24(2)16-9-7-14(8-10-16)18-19-21-22-23-26(19)12-11-25(18)13-15-5-3-4-6-17(15)20/h3-10,18H,11-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175820 (US9688684, Compound 17: {4-[7-(3-Fluoro-benzyl)-5,...) Show SMILES CN(C)c1ccc(cc1)C1N(Cc2cccc(F)c2)CCn2nnnc12 Show InChI InChI=1S/C19H21FN6/c1-24(2)17-8-6-15(7-9-17)18-19-21-22-23-26(19)11-10-25(18)13-14-4-3-5-16(20)12-14/h3-9,12,18H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175837 (US9688684, Compound 34: 8-(2,5-Difluoro-phenyl)-7-...) Show SMILES CC(C)c1nn(cc1CN1CCn2nnnc2C1c1cc(F)ccc1F)-c1ccccc1 Show InChI InChI=1S/C23H23F2N7/c1-15(2)21-16(14-32(27-21)18-6-4-3-5-7-18)13-30-10-11-31-23(26-28-29-31)22(30)19-12-17(24)8-9-20(19)25/h3-9,12,14-15,22H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175845 (US9688684, Compound 42: 8-(4-Chloro-phenyl)-7-(3-f...) Show SMILES Fc1cccc(CN2CCn3nnnc3C2c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C17H15ClFN5/c18-14-6-4-13(5-7-14)16-17-20-21-22-24(17)9-8-23(16)11-12-2-1-3-15(19)10-12/h1-7,10,16H,8-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175851 (US9688684, Compound 48: 7-(3-Isopropyl-1-phenyl-1H...) Show SMILES CC(C)c1nn(cc1CN1CCn2nnnc2C1c1cccs1)-c1ccccc1 Show InChI InChI=1S/C21H23N7S/c1-15(2)19-16(14-28(23-19)17-7-4-3-5-8-17)13-26-10-11-27-21(22-24-25-27)20(26)18-9-6-12-29-18/h3-9,12,14-15,20H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175855 (US9688684, Compound 52: 7-(4-Bromo-benzyl)-8-(3-is...) Show SMILES CC(C)c1nn(cc1C1N(Cc2ccc(Br)cc2)CCn2nnnc12)-c1ccccc1 Show InChI InChI=1S/C23H24BrN7/c1-16(2)21-20(15-31(26-21)19-6-4-3-5-7-19)22-23-25-27-28-30(23)13-12-29(22)14-17-8-10-18(24)11-9-17/h3-11,15-16,22H,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175864 (US9688684, Compound 61: 8-(3-Isopropyl-1-phenyl-1H...) Show SMILES CC(C)c1nn(cc1C1N(Cc2cccs2)CCn2nnnc12)-c1ccccc1 Show InChI InChI=1S/C21H23N7S/c1-15(2)19-18(14-28(23-19)16-7-4-3-5-8-16)20-21-22-24-25-27(21)11-10-26(20)13-17-9-6-12-29-17/h3-9,12,14-15,20H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175864 (US9688684, Compound 61: 8-(3-Isopropyl-1-phenyl-1H...) Show SMILES CC(C)c1nn(cc1C1N(Cc2cccs2)CCn2nnnc12)-c1ccccc1 Show InChI InChI=1S/C21H23N7S/c1-15(2)19-18(14-28(23-19)16-7-4-3-5-8-16)20-21-22-24-25-27(21)11-10-26(20)13-17-9-6-12-29-17/h3-9,12,14-15,20H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175864 (US9688684, Compound 61: 8-(3-Isopropyl-1-phenyl-1H...) Show SMILES CC(C)c1nn(cc1C1N(Cc2cccs2)CCn2nnnc12)-c1ccccc1 Show InChI InChI=1S/C21H23N7S/c1-15(2)19-18(14-28(23-19)16-7-4-3-5-8-16)20-21-22-24-25-27(21)11-10-26(20)13-17-9-6-12-29-17/h3-9,12,14-15,20H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175864 (US9688684, Compound 61: 8-(3-Isopropyl-1-phenyl-1H...) Show SMILES CC(C)c1nn(cc1C1N(Cc2cccs2)CCn2nnnc12)-c1ccccc1 Show InChI InChI=1S/C21H23N7S/c1-15(2)19-18(14-28(23-19)16-7-4-3-5-8-16)20-21-22-24-25-27(21)11-10-26(20)13-17-9-6-12-29-17/h3-9,12,14-15,20H,10-11,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175866 (US9688684, Compound 63: 7-(2,3-Difluoro-benzyl)-8-...) Show SMILES CC(C)c1nn(cc1C1N(Cc2cccc(F)c2F)CCn2nnnc12)-c1ccccc1 Show InChI InChI=1S/C23H23F2N7/c1-15(2)21-18(14-32(27-21)17-8-4-3-5-9-17)22-23-26-28-29-31(23)12-11-30(22)13-16-7-6-10-19(24)20(16)25/h3-10,14-15,22H,11-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175887 (US9688684, Compound 84: 8-(4-Fluoro-phenyl)-7-pyri...) Show SMILES Fc1ccc(cc1)C1N(Cc2ccncc2)CCn2nnnc12 Show InChI InChI=1S/C16H15FN6/c17-14-3-1-13(2-4-14)15-16-19-20-21-23(16)10-9-22(15)11-12-5-7-18-8-6-12/h1-8,15H,9-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175891 (US9688684, Compound 88: 7-Benzyl-8-(4-isopropoxy-p...) Show SMILES CC(C)Oc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C20H23N5O/c1-15(2)26-18-10-8-17(9-11-18)19-20-21-22-23-25(20)13-12-24(19)14-16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175892 (US9688684, Compound 89: 7-Benzyl-8-(3-fluoro-pheny...) Show SMILES Fc1cccc(c1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C17H16FN5/c18-15-8-4-7-14(11-15)16-17-19-20-21-23(17)10-9-22(16)12-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175893 (US9688684, Compound 90: 7-Benzyl-8-(4-ethyl-phenyl...) Show SMILES CCc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C19H21N5/c1-2-15-8-10-17(11-9-15)18-19-20-21-22-24(19)13-12-23(18)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175893 (US9688684, Compound 90: 7-Benzyl-8-(4-ethyl-phenyl...) Show SMILES CCc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C19H21N5/c1-2-15-8-10-17(11-9-15)18-19-20-21-22-24(19)13-12-23(18)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175894 (US9688684, Compound 91: 7-(4-Fluoro-benzyl)-8-(3-f...) Show SMILES Fc1ccc(CN2CCn3nnnc3C2c2cccc(F)c2)cc1 Show InChI InChI=1S/C17H15F2N5/c18-14-6-4-12(5-7-14)11-23-8-9-24-17(20-21-22-24)16(23)13-2-1-3-15(19)10-13/h1-7,10,16H,8-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175895 (US9688684, Compound 92: 7-(3-Bromo-benzyl)-8-m-tol...) Show SMILES Cc1cccc(c1)C1N(Cc2cccc(Br)c2)CCn2nnnc12 Show InChI InChI=1S/C18H18BrN5/c1-13-4-2-6-15(10-13)17-18-20-21-22-24(18)9-8-23(17)12-14-5-3-7-16(19)11-14/h2-7,10-11,17H,8-9,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175895 (US9688684, Compound 92: 7-(3-Bromo-benzyl)-8-m-tol...) Show SMILES Cc1cccc(c1)C1N(Cc2cccc(Br)c2)CCn2nnnc12 Show InChI InChI=1S/C18H18BrN5/c1-13-4-2-6-15(10-13)17-18-20-21-22-24(18)9-8-23(17)12-14-5-3-7-16(19)11-14/h2-7,10-11,17H,8-9,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175896 (US9688684, Compound 93: 8-(4-Fluoro-phenyl)-7-(3-m...) Show SMILES Cc1cccc(CN2CCn3nnnc3C2c2ccc(F)cc2)c1 Show InChI InChI=1S/C18H18FN5/c1-13-3-2-4-14(11-13)12-23-9-10-24-18(20-21-22-24)17(23)15-5-7-16(19)8-6-15/h2-8,11,17H,9-10,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175896 (US9688684, Compound 93: 8-(4-Fluoro-phenyl)-7-(3-m...) Show SMILES Cc1cccc(CN2CCn3nnnc3C2c2ccc(F)cc2)c1 Show InChI InChI=1S/C18H18FN5/c1-13-3-2-4-14(11-13)12-23-9-10-24-18(20-21-22-24)17(23)15-5-7-16(19)8-6-15/h2-8,11,17H,9-10,12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175897 (US9688684, Compound 94: 7-Benzyl-8-(3-bromo-phenyl...) Show SMILES Brc1cccc(c1)C1N(Cc2ccccc2)CCn2nnnc12 Show InChI InChI=1S/C17H16BrN5/c18-15-8-4-7-14(11-15)16-17-19-20-21-23(17)10-9-22(16)12-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175898 (US9688684, Compound 95: 8-(2,3-Dihydro-benzo[1,4]d...) Show SMILES Cc1cccc(CN2CCn3nnnc3C2c2ccc3OCCOc3c2)c1 Show InChI InChI=1S/C20H21N5O2/c1-14-3-2-4-15(11-14)13-24-7-8-25-20(21-22-23-25)19(24)16-5-6-17-18(12-16)27-10-9-26-17/h2-6,11-12,19H,7-10,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175899 (US9688684, Compound 96: 7-(3-Bromo-benzyl)-8-(4-fl...) Show SMILES Fc1ccc(cc1)C1N(Cc2cccc(Br)c2)CCn2nnnc12 Show InChI InChI=1S/C17H15BrFN5/c18-14-3-1-2-12(10-14)11-23-8-9-24-17(20-21-22-24)16(23)13-4-6-15(19)7-5-13/h1-7,10,16H,8-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175841 (US9688684, Compound 38: 7-(3-Fluoro-benzyl)-8-(3-f...) Show SMILES Fc1cccc(CN2CCn3nnnc3C2c2cccc(F)c2)c1 Show InChI InChI=1S/C17H15F2N5/c18-14-5-1-3-12(9-14)11-23-7-8-24-17(20-21-22-24)16(23)13-4-2-6-15(19)10-13/h1-6,9-10,16H,7-8,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175855 (US9688684, Compound 52: 7-(4-Bromo-benzyl)-8-(3-is...) Show SMILES CC(C)c1nn(cc1C1N(Cc2ccc(Br)cc2)CCn2nnnc12)-c1ccccc1 Show InChI InChI=1S/C23H24BrN7/c1-16(2)21-20(15-31(26-21)19-6-4-3-5-7-19)22-23-25-27-28-30(23)13-12-29(22)14-17-8-10-18(24)11-9-17/h3-11,15-16,22H,12-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175858 (US9688684, Compound 55: {4-[8-(3-Isopropyl-1-pheny...) Show SMILES CC(C)c1nn(cc1C1N(Cc2ccc(cc2)N(C)C)CCn2nnnc12)-c1ccccc1 Show InChI InChI=1S/C25H30N8/c1-18(2)23-22(17-33(27-23)21-8-6-5-7-9-21)24-25-26-28-29-32(25)15-14-31(24)16-19-10-12-20(13-11-19)30(3)4/h5-13,17-18,24H,14-16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.45E+3	n/a	n/a	n/a	n/a	6.8	n/a
Merck Patent GmbH US Patent					Assay Description In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [238-497] (Homo sapiens (Human))	BDBM175858 (US9688684, Compound 55: {4-[8-(3-Isopropyl-1-pheny...) Show SMILES CC(C)c1nn(cc1C1N(Cc2ccc(cc2)N(C)C)CCn2nnnc12)-c1ccccc1 Show InChI InChI=1S/C25H30N8/c1-18(2)23-22(17-33(27-23)21-8-6-5-7-9-21)24-25-26-28-29-32(25)15-14-31(24)16-19-10-12-20(13-11-19)30(3)4/h5-13,17-18,24H,14-16H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...				US Patent US9688684 (2017) BindingDB Entry DOI: 10.7270/Q2DB7ZZK
					More data for this Ligand-Target Pair

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