Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50002061   

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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452856 (CHEMBL4217811) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-[#8]-c2c1)-[#6](=O)-c1cc(-[#8])no1)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H25F2N3O6Si/c1-33-14-5-6-15-18(11-14)34-8-7-29(24(32)19-12-20(30)28-35-19)21(15)23(31)27-13-9-16(25)22(17(26)10-13)36(2,3)4/h5-6,9-12,21H,7-8H2,1-4H3,(H,27,31)(H,28,30)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452853 (CHEMBL4087736) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H30F2N2O5Si/c1-34-17-8-9-18-15(12-17)10-11-29(21(30)6-5-7-22(31)32)23(18)25(33)28-16-13-19(26)24(20(27)14-16)35(2,3)4/h8-9,12-14,23H,5-7,10-11H2,1-4H3,(H,28,33)(H,31,32)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452850 (CHEMBL4203255) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H31F2N3O4Si/c1-34-17-8-9-18-15(12-17)10-11-30(22(32)7-5-6-21(28)31)23(18)25(33)29-16-13-19(26)24(20(27)14-16)35(2,3)4/h8-9,12-14,23H,5-7,10-11H2,1-4H3,(H2,28,31)(H,29,33)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452854 (CHEMBL4205112) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#8]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H28F2N2O6Si/c1-33-16-5-6-17-14(9-16)7-8-28(20(29)12-34-13-21(30)31)22(17)24(32)27-15-10-18(25)23(19(26)11-15)35(2,3)4/h5-6,9-11,22H,7-8,12-13H2,1-4H3,(H,27,32)(H,30,31)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452843 (CHEMBL4217478) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6](-[#6])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C26H32F2N2O5Si/c1-15(11-23(32)33)10-22(31)30-9-8-16-12-18(35-2)6-7-19(16)24(30)26(34)29-17-13-20(27)25(21(28)14-17)36(3,4)5/h6-7,12-15,24H,8-11H2,1-5H3,(H,29,34)(H,32,33)/t15?,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452840 (CHEMBL4209940) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)\[#6]=[#6]\[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H26F2N2O5Si/c1-33-16-5-6-17-14(11-16)9-10-28(20(29)7-8-21(30)31)22(17)24(32)27-15-12-18(25)23(19(26)13-15)34(2,3)4/h5-8,11-13,22H,9-10H2,1-4H3,(H,27,32)(H,30,31)/b8-7+/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452846 (CHEMBL4205579) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H28F2N2O5Si/c1-33-16-5-6-17-14(11-16)9-10-28(20(29)7-8-21(30)31)22(17)24(32)27-15-12-18(25)23(19(26)13-15)34(2,3)4/h5-6,11-13,22H,7-10H2,1-4H3,(H,27,32)(H,30,31)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452848 (CHEMBL4213410) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6@@H](-[#7](-[#6])-[#6](=O)-c1cc(-[#8])no1)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C23H25F2N3O5Si/c1-28(23(31)18-12-19(29)27-33-18)20(13-6-8-15(32-2)9-7-13)22(30)26-14-10-16(24)21(17(25)11-14)34(3,4)5/h6-12,20H,1-5H3,(H,26,30)(H,27,29)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452839 (CHEMBL4210540) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]C([#6])([#8])[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C26H32F2N2O6Si/c1-26(35,14-22(32)33)13-21(31)30-9-8-15-10-17(36-2)6-7-18(15)23(30)25(34)29-16-11-19(27)24(20(28)12-16)37(3,4)5/h6-7,10-12,23,35H,8-9,13-14H2,1-5H3,(H,29,34)(H,32,33)/t23-,26?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452847 (CHEMBL4206093) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-c1cc(-[#8])no1)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H25F2N3O5Si/c1-33-15-5-6-16-13(9-15)7-8-29(24(32)19-12-20(30)28-34-19)21(16)23(31)27-14-10-17(25)22(18(26)11-14)35(2,3)4/h5-6,9-12,21H,7-8H2,1-4H3,(H,27,31)(H,28,30)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452842 (CHEMBL4210727) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]C([#6])([#6])[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C27H34F2N2O5Si/c1-27(2,15-23(33)34)14-22(32)31-10-9-16-11-18(36-3)7-8-19(16)24(31)26(35)30-17-12-20(28)25(21(29)13-17)37(4,5)6/h7-8,11-13,24H,9-10,14-15H2,1-6H3,(H,30,35)(H,33,34)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452847 (CHEMBL4206093) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-c1cc(-[#8])no1)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H25F2N3O5Si/c1-33-15-5-6-16-13(9-15)7-8-29(24(32)19-12-20(30)28-34-19)21(16)23(31)27-14-10-17(25)22(18(26)11-14)35(2,3)4/h5-6,9-12,21H,7-8H2,1-4H3,(H,27,31)(H,28,30)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452844 (CHEMBL4214337) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C26H32F2N2O5Si/c1-35-18-9-10-19-16(13-18)11-12-30(22(31)7-5-6-8-23(32)33)24(19)26(34)29-17-14-20(27)25(21(28)15-17)36(2,3)4/h9-10,13-15,24H,5-8,11-12H2,1-4H3,(H,29,34)(H,32,33)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452850 (CHEMBL4203255) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H31F2N3O4Si/c1-34-17-8-9-18-15(12-17)10-11-30(22(32)7-5-6-21(28)31)23(18)25(33)29-16-13-19(26)24(20(27)14-16)35(2,3)4/h8-9,12-14,23H,5-7,10-11H2,1-4H3,(H2,28,31)(H,29,33)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452852 (CHEMBL4210449) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6@@H](-[#7](-[#6])-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C23H28F2N2O5Si/c1-27(19(28)10-11-20(29)30)21(14-6-8-16(32-2)9-7-14)23(31)26-15-12-17(24)22(18(25)13-15)33(3,4)5/h6-9,12-13,21H,10-11H2,1-5H3,(H,26,31)(H,29,30)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452841 (CHEMBL4205062) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-1-[#16]-[#6](=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H27F2N3O5SSi/c1-35-15-5-6-16-13(9-15)7-8-30(20(31)12-19-23(32)29-25(34)36-19)21(16)24(33)28-14-10-17(26)22(18(27)11-14)37(2,3)4/h5-6,9-11,19,21H,7-8,12H2,1-4H3,(H,28,33)(H,29,32,34)/t19?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452849 (CHEMBL4213861) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#7](-[#6])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H31F2N3O5Si/c1-29(14-22(32)33)13-21(31)30-9-8-15-10-17(35-2)6-7-18(15)23(30)25(34)28-16-11-19(26)24(20(27)12-16)36(3,4)5/h6-7,10-12,23H,8-9,13-14H2,1-5H3,(H,28,34)(H,32,33)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452848 (CHEMBL4213410) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6@@H](-[#7](-[#6])-[#6](=O)-c1cc(-[#8])no1)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C23H25F2N3O5Si/c1-28(23(31)18-12-19(29)27-33-18)20(13-6-8-15(32-2)9-7-13)22(30)26-14-10-16(24)21(17(25)11-14)34(3,4)5/h6-12,20H,1-5H3,(H,26,30)(H,27,29)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452845 (CHEMBL4214855) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)\[#6]=[#6]/[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H26F2N2O5Si/c1-33-16-5-6-17-14(11-16)9-10-28(20(29)7-8-21(30)31)22(17)24(32)27-15-12-18(25)23(19(26)13-15)34(2,3)4/h5-8,11-13,22H,9-10H2,1-4H3,(H,27,32)(H,30,31)/b8-7-/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452843 (CHEMBL4217478) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6](-[#6])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C26H32F2N2O5Si/c1-15(11-23(32)33)10-22(31)30-9-8-16-12-18(35-2)6-7-19(16)24(30)26(34)29-17-13-20(27)25(21(28)14-17)36(3,4)5/h6-7,12-15,24H,8-11H2,1-5H3,(H,29,34)(H,32,33)/t15?,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452853 (CHEMBL4087736) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H30F2N2O5Si/c1-34-17-8-9-18-15(12-17)10-11-29(21(30)6-5-7-22(31)32)23(18)25(33)28-16-13-19(26)24(20(27)14-16)35(2,3)4/h8-9,12-14,23H,5-7,10-11H2,1-4H3,(H,28,33)(H,31,32)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452844 (CHEMBL4214337) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C26H32F2N2O5Si/c1-35-18-9-10-19-16(13-18)11-12-30(22(31)7-5-6-8-23(32)33)24(19)26(34)29-17-14-20(27)25(21(28)15-17)36(2,3)4/h9-10,13-15,24H,5-8,11-12H2,1-4H3,(H,29,34)(H,32,33)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452839 (CHEMBL4210540) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]C([#6])([#8])[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C26H32F2N2O6Si/c1-26(35,14-22(32)33)13-21(31)30-9-8-15-10-17(36-2)6-7-18(15)23(30)25(34)29-16-11-19(27)24(20(28)12-16)37(3,4)5/h6-7,10-12,23,35H,8-9,13-14H2,1-5H3,(H,29,34)(H,32,33)/t23-,26?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452840 (CHEMBL4209940) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)\[#6]=[#6]\[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H26F2N2O5Si/c1-33-16-5-6-17-14(11-16)9-10-28(20(29)7-8-21(30)31)22(17)24(32)27-15-12-18(25)23(19(26)13-15)34(2,3)4/h5-8,11-13,22H,9-10H2,1-4H3,(H,27,32)(H,30,31)/b8-7+/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452856 (CHEMBL4217811) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-[#8]-c2c1)-[#6](=O)-c1cc(-[#8])no1)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H25F2N3O6Si/c1-33-14-5-6-15-18(11-14)34-8-7-29(24(32)19-12-20(30)28-35-19)21(15)23(31)27-13-9-16(25)22(17(26)10-13)36(2,3)4/h5-6,9-12,21H,7-8H2,1-4H3,(H,27,31)(H,28,30)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452841 (CHEMBL4205062) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-1-[#16]-[#6](=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H27F2N3O5SSi/c1-35-15-5-6-16-13(9-15)7-8-30(20(31)12-19-23(32)29-25(34)36-19)21(16)24(33)28-14-10-17(26)22(18(27)11-14)37(2,3)4/h5-6,9-11,19,21H,7-8,12H2,1-4H3,(H,28,33)(H,29,32,34)/t19?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452842 (CHEMBL4210727) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]C([#6])([#6])[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C27H34F2N2O5Si/c1-27(2,15-23(33)34)14-22(32)31-10-9-16-11-18(36-3)7-8-19(16)24(31)26(35)30-17-12-20(28)25(21(29)13-17)37(4,5)6/h7-8,11-13,24H,9-10,14-15H2,1-6H3,(H,30,35)(H,33,34)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452846 (CHEMBL4205579) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H28F2N2O5Si/c1-33-16-5-6-17-14(11-16)9-10-28(20(29)7-8-21(30)31)22(17)24(32)27-15-12-18(25)23(19(26)13-15)34(2,3)4/h5-6,11-13,22H,7-10H2,1-4H3,(H,27,32)(H,30,31)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452854 (CHEMBL4205112) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#8]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H28F2N2O6Si/c1-33-16-5-6-17-14(9-16)7-8-28(20(29)12-34-13-21(30)31)22(17)24(32)27-15-10-18(25)23(19(26)11-15)35(2,3)4/h5-6,9-11,22H,7-8,12-13H2,1-4H3,(H,27,32)(H,30,31)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452849 (CHEMBL4213861) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#7](-[#6])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C25H31F2N3O5Si/c1-29(14-22(32)33)13-21(31)30-9-8-15-10-17(35-2)6-7-18(15)23(30)25(34)28-16-11-19(26)24(20(27)12-16)36(3,4)5/h6-7,10-12,23H,8-9,13-14H2,1-5H3,(H,28,34)(H,32,33)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452852 (CHEMBL4210449) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6@@H](-[#7](-[#6])-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C23H28F2N2O5Si/c1-27(19(28)10-11-20(29)30)21(14-6-8-16(32-2)9-7-14)23(31)26-15-12-17(24)22(18(25)13-15)33(3,4)5/h6-9,12-13,21H,10-11H2,1-5H3,(H,26,31)(H,29,30)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50452845 (CHEMBL4214855) Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)\[#6]=[#6]/[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r| Show InChI InChI=1S/C24H26F2N2O5Si/c1-33-16-5-6-17-14(11-16)9-10-28(20(29)7-8-21(30)31)22(17)24(32)27-15-12-18(25)23(19(26)13-15)34(2,3)4/h5-8,11-13,22H,9-10H2,1-4H3,(H,27,32)(H,30,31)/b8-7-/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human Jurkat cells assessed as inhibition of transcriptional activity after overnight incubation by human IL...				Bioorg Med Chem 26: 470-482 (2018) Article DOI: 10.1016/j.bmc.2017.12.008 BindingDB Entry DOI: 10.7270/Q2GQ71BR
					More data for this Ligand-Target Pair