Compile Data Set for Download or QSAR

Found 1730 hits of ec50 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 (Homo sapiens (Human))	BDBM50044179 (CHEMBL3314002 | US10301272, Example 7/4) Show SMILES CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c(Cl)c1C |r,wU:30.34,wD:28.29,(19.83,-3.9,;18.5,-4.68,;18.5,-6.22,;19.84,-6.98,;19.83,-5.44,;17.17,-6.99,;15.83,-6.22,;15.06,-4.88,;16.6,-4.88,;14.51,-7,;14.51,-8.55,;13.17,-9.32,;11.84,-8.55,;10.51,-9.32,;10.34,-10.85,;8.84,-11.17,;8.07,-9.83,;9.1,-8.69,;8.78,-7.18,;7.32,-6.7,;7,-5.19,;5.54,-4.71,;4.39,-5.73,;4.71,-7.24,;6.17,-7.73,;8.21,-12.57,;9.11,-13.82,;6.68,-12.73,;6.05,-14.14,;4.62,-14.69,;5.17,-16.13,;6.61,-15.58,;4.54,-17.54,;3.01,-17.7,;5.45,-18.79,;11.84,-7.01,;10.51,-6.24,;13.17,-6.24,;13.17,-4.7,)| Show InChI InChI=1S/C28H38ClN3O5S2/c1-5-28(3,4)32-39(36,37)22-12-11-20(23(29)16(22)2)24-21(13-17-9-7-6-8-10-17)31-26(38-24)25(33)30-19-14-18(15-19)27(34)35/h11-12,17-19,32H,5-10,13-15H2,1-4H3,(H,30,33)(H,34,35)/t18-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Agonist activity at RoRc-LBD (unknown origin) expressed in HEK293 cells assessed as transcriptional activity by GAL4 reporter assay				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50044252 (CHEMBL3314018) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cccc(c2)-c2cc(Cl)ccc2Cl)cc1 Show InChI InChI=1S/C22H19Cl2NO3S/c1-2-29(27,28)19-9-6-15(7-10-19)12-22(26)25-18-5-3-4-16(13-18)20-14-17(23)8-11-21(20)24/h3-11,13-14H,2,12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Activity at human RoRc in human Jurkat cells assessed as inhibition of IL-17 promoter				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50044254 (CHEMBL3314017) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)F)cc1 |(.3,-24.38,;1.64,-23.61,;2.96,-24.38,;3.73,-25.71,;2.19,-25.7,;4.3,-23.61,;5.64,-24.38,;6.98,-23.61,;6.97,-22.06,;8.3,-21.28,;9.64,-22.05,;9.64,-23.59,;10.97,-21.27,;12.31,-22.04,;12.31,-23.58,;13.64,-24.34,;13.65,-25.88,;14.97,-23.57,;14.96,-22.02,;16.29,-21.24,;13.63,-21.26,;16.31,-24.33,;16.31,-25.87,;17.65,-26.63,;18.98,-25.86,;18.97,-24.31,;17.63,-23.55,;17.62,-22.01,;18.95,-21.23,;18.93,-19.69,;20.29,-21.99,;5.64,-21.3,;4.31,-22.07,)| Show InChI InChI=1S/C23H19Cl2F2NO4S/c1-2-33(30,31)16-9-7-14(8-10-16)11-21(29)28-15-12-18(24)22(19(25)13-15)17-5-3-4-6-20(17)32-23(26)27/h3-10,12-13,23H,2,11H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Activity at human RoRc in human Jurkat cells assessed as inhibition of IL-17 promoter				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50044255 (CHEMBL3314016) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1 Show InChI InChI=1S/C23H19ClF3NO4S/c1-2-33(30,31)17-10-7-15(8-11-17)13-22(29)28-16-9-12-18(20(24)14-16)19-5-3-4-6-21(19)32-23(25,26)27/h3-12,14H,2,13H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Activity at human RoRc in human Jurkat cells assessed as inhibition of IL-17 promoter				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50044145 (CHEMBL3314015) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3)c(c2)C(C)C)cc1 Show InChI InChI=1S/C25H27NO3S/c1-4-30(28,29)22-13-10-19(11-14-22)16-25(27)26-21-12-15-23(24(17-21)18(2)3)20-8-6-5-7-9-20/h5-15,17-18H,4,16H2,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Activity at human RoRc in human Jurkat cells assessed as inhibition of IL-17 promoter				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50044179 (CHEMBL3314002 | US10301272, Example 7/4) Show SMILES CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c(Cl)c1C |r,wU:30.34,wD:28.29,(19.83,-3.9,;18.5,-4.68,;18.5,-6.22,;19.84,-6.98,;19.83,-5.44,;17.17,-6.99,;15.83,-6.22,;15.06,-4.88,;16.6,-4.88,;14.51,-7,;14.51,-8.55,;13.17,-9.32,;11.84,-8.55,;10.51,-9.32,;10.34,-10.85,;8.84,-11.17,;8.07,-9.83,;9.1,-8.69,;8.78,-7.18,;7.32,-6.7,;7,-5.19,;5.54,-4.71,;4.39,-5.73,;4.71,-7.24,;6.17,-7.73,;8.21,-12.57,;9.11,-13.82,;6.68,-12.73,;6.05,-14.14,;4.62,-14.69,;5.17,-16.13,;6.61,-15.58,;4.54,-17.54,;3.01,-17.7,;5.45,-18.79,;11.84,-7.01,;10.51,-6.24,;13.17,-6.24,;13.17,-4.7,)| Show InChI InChI=1S/C28H38ClN3O5S2/c1-5-28(3,4)32-39(36,37)22-12-11-20(23(29)16(22)2)24-21(13-17-9-7-6-8-10-17)31-26(38-24)25(33)30-19-14-18(15-19)27(34)35/h11-12,17-19,32H,5-10,13-15H2,1-4H3,(H,30,33)(H,34,35)/t18-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermoflu...				Bioorg Med Chem Lett 28: 1446-1455 (2018) Article DOI: 10.1016/j.bmcl.2018.03.093 BindingDB Entry DOI: 10.7270/Q27W6FPC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human CD4 positive T cells assessed as inhibition of IL17A production in human Th17 cells after 1 hr				Bioorg Med Chem Lett 28: 1446-1455 (2018) Article DOI: 10.1016/j.bmcl.2018.03.093 BindingDB Entry DOI: 10.7270/Q27W6FPC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM414268 (US10435369, Example 155) Show SMILES OC1(CCCCC1)C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C29H29F8NO4S/c30-19-6-8-20(9-7-19)43(41,42)26-15-12-23(38-24(39)25(40)13-2-1-3-14-25)22(26)10-4-17-16-18(5-11-21(17)26)27(31,28(32,33)34)29(35,36)37/h5-9,11,16,22-23,40H,1-4,10,12-15H2,(H,38,39)/t22-,23+,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at recombinant full-length human Gal4-fused RORgammat expressed in human Jurkat cells incubated for 18 hrs by steady-glo luc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01992 BindingDB Entry DOI: 10.7270/Q2N87FJG
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human CD4 positive T cells assessed as inhibition of IL17A production in human Th17 cells after 1 hr				Bioorg Med Chem Lett 28: 1446-1455 (2018) Article DOI: 10.1016/j.bmcl.2018.03.093 BindingDB Entry DOI: 10.7270/Q27W6FPC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50570327 (CHEMBL4858617) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(CC[C@H]2NC1(O)CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at recombinant full-length human Gal4-fused RORgammat expressed in human Jurkat cells incubated for 18 hrs by steady-glo luc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01992 BindingDB Entry DOI: 10.7270/Q2N87FJG
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50106285 (CHEMBL3596279 | US9550771, Example 91) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccnc12 Show InChI InChI=1S/C23H16ClN3O4/c24-16-4-1-3-14(12-5-6-12)18(16)20(29)22-26-19(21-25-9-2-10-27(21)22)13-7-8-15(23(30)31)17(28)11-13/h1-4,7-12,28H,5-6H2,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...				Bioorg Med Chem Lett 25: 2907-12 (2015) Article DOI: 10.1016/j.bmcl.2015.05.055 BindingDB Entry DOI: 10.7270/Q2HT2R3R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50586746 (CHEMBL5081833) Show SMILES CCc1ccccc1Cc1cc2cc(ccc2n1C(C)C)C(=O)NCc1ccc(cc1)S(=O)(=O)CC Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
TBA					Assay Description Partial agonist activity at human RORgamma in cytostim stimulated human PBMC cells assessed as decrease in differentiation of TH17 cells by measuring...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00828 BindingDB Entry DOI: 10.7270/Q2C53QRF
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM50106287 (CHEMBL3598148 | US9550771, Example 17) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12 Show InChI InChI=1S/C22H12ClF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h1-10,29H,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268455 (4-[8-chloro-3-(2-chloro-6- cyclopropyl- benzoyl)im...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccc(Cl)c12 Show InChI InChI=1S/C24H16Cl2N2O4/c25-16-4-1-3-14(12-6-7-12)19(16)22(30)23-27-20(21-17(26)5-2-10-28(21)23)13-8-9-15(24(31)32)18(29)11-13/h1-5,8-12,29H,6-7H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM50106285 (CHEMBL3596279 | US9550771, Example 91) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccnc12 Show InChI InChI=1S/C23H16ClN3O4/c24-16-4-1-3-14(12-5-6-12)18(16)20(29)22-26-19(21-25-9-2-10-27(21)22)13-7-8-15(23(30)31)17(28)11-13/h1-4,7-12,28H,5-6H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50106287 (CHEMBL3598148 | US9550771, Example 17) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12 Show InChI InChI=1S/C22H12ClF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h1-10,29H,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...				Bioorg Med Chem Lett 25: 2907-12 (2015) Article DOI: 10.1016/j.bmcl.2015.05.055 BindingDB Entry DOI: 10.7270/Q2HT2R3R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50586748 (CHEMBL5086437) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C(C)C)c(Cc4ccccc4Cl)cc3c2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at N-terminal GST tagged human RORgamma LBD using fluorescein-D22 as coactivator incubated for 60 mins by Lanthascreen TR-FRET as...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00828 BindingDB Entry DOI: 10.7270/Q2C53QRF
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50586741 (CHEMBL5083464) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CCF)c(Cc4ccc(Cl)cc4C(F)(F)F)cc3c2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at N-terminal GST tagged human RORgamma LBD using fluorescein-D22 as coactivator incubated for 60 mins by Lanthascreen TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00828 BindingDB Entry DOI: 10.7270/Q2C53QRF
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50586741 (CHEMBL5083464) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CCF)c(Cc4ccc(Cl)cc4C(F)(F)F)cc3c2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human RORgamma in cytostim stimulated human PBMC cells assessed as increase in differentiation of TH17 cells by measuring IL-17 p...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00828 BindingDB Entry DOI: 10.7270/Q2C53QRF
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50536798 (CHEMBL4519011) Show SMILES C[C@H]1CC[C@H](c2cccs2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C22H28FN3O3S2/c1-16-5-8-22(21-4-3-13-30-21)31(28,29)26(16)15-18-6-7-19(14-20(18)23)25-11-9-24(10-12-25)17(2)27/h3-4,6-7,13-14,16,22H,5,8-12,15H2,1-2H3/t16-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assay				Bioorg Med Chem Lett 26: 4455-4461 (2016) Article DOI: 10.1016/j.bmcl.2016.07.081 BindingDB Entry DOI: 10.7270/Q2GX4G3X
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50517588 (CHEMBL4446140) Show SMILES CCOc1ccccc1CN1CCc2cc(NC(=O)[C@@H]3N(CCc4nc(OC)ccc34)C(=O)CCCC(O)=O)ccc12 |r| Show InChI InChI=1S/C32H36N4O6/c1-3-42-27-8-5-4-7-22(27)20-35-17-15-21-19-23(11-13-26(21)35)33-32(40)31-24-12-14-28(41-2)34-25(24)16-18-36(31)29(37)9-6-10-30(38)39/h4-5,7-8,11-14,19,31H,3,6,9-10,15-18,20H2,1-2H3,(H,33,40)(H,38,39)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Agonist activity at His-tagged human RORgammaT assessed as induction of biotinylated SRC-1 peptide recruitment after 1 hr by TR-FRET assay				J Med Chem 62: 1167-1179 (2019) Article DOI: 10.1021/acs.jmedchem.8b01181 BindingDB Entry DOI: 10.7270/Q2DF6VMH
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50570323 (CHEMBL4862214) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(CC[C@H]2NC(=O)C(C)(C)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at recombinant full-length human Gal4-fused RORgammat expressed in human Jurkat cells incubated for 18 hrs by steady-glo luc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01992 BindingDB Entry DOI: 10.7270/Q2N87FJG
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM392075 (US10301272, Example 7/8) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2CCCCc12 |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,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)| Show InChI InChI=1S/C30H41N3O5S2/c1-30(2,3)33-40(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-18-9-5-4-6-10-18)32-28(39-26)27(34)31-20-16-19(17-20)29(35)36/h13-14,18-20,33H,4-12,15-17H2,1-3H3,(H,31,34)(H,35,36)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermoflu...				Bioorg Med Chem Lett 28: 1446-1455 (2018) Article DOI: 10.1016/j.bmcl.2018.03.093 BindingDB Entry DOI: 10.7270/Q27W6FPC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human CD4 positive T cells assessed as inhibition of IL17A production in human Th17 cells after 1 hr				Bioorg Med Chem Lett 28: 1446-1455 (2018) Article DOI: 10.1016/j.bmcl.2018.03.093 BindingDB Entry DOI: 10.7270/Q27W6FPC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM414277 (US10435369, Example 164) Show SMILES CC(C)(O)CC(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27F8NO4S/c1-23(2,38)14-22(37)36-21-11-12-24(41(39,40)18-7-5-17(28)6-8-18)19-10-4-16(13-15(19)3-9-20(21)24)25(29,26(30,31)32)27(33,34)35/h4-8,10,13,20-21,38H,3,9,11-12,14H2,1-2H3,(H,36,37)/t20-,21+,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at recombinant full-length human Gal4-fused RORgammat expressed in human Jurkat cells incubated for 18 hrs by steady-glo luc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01992 BindingDB Entry DOI: 10.7270/Q2N87FJG
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM414318 (US10435369, Example 205 | US10435369, Example 232) Show SMILES OCCNC(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H24F8N2O4S/c26-16-3-5-17(6-4-16)40(38,39)22-10-9-20(35-21(37)34-11-12-36)19(22)7-1-14-13-15(2-8-18(14)22)23(27,24(28,29)30)25(31,32)33/h2-6,8,13,19-20,36H,1,7,9-12H2,(H2,34,35,37)/t19-,20+,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at recombinant full-length human Gal4-fused RORgammat expressed in human Jurkat cells incubated for 18 hrs by steady-glo luc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01992 BindingDB Entry DOI: 10.7270/Q2N87FJG
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50557809 (CHEMBL4760466) Show SMILES [H][C@@]12CCc3nc(ccc3[C@@]1(CC[C@H]2NC(=O)[C@](C)(O)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at human Gal4-fused RORgammat expressed in human Jurkat cells luciferase reporter gene assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00112 BindingDB Entry DOI: 10.7270/Q21R6V6T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50557811 (CHEMBL4779994) Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(CC[C@H]2NC(=O)[C@](C)(O)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at human Gal4-fused RORgammat expressed in human Jurkat cells luciferase reporter gene assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00112 BindingDB Entry DOI: 10.7270/Q21R6V6T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM414277 (US10435369, Example 164) Show SMILES CC(C)(O)CC(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27F8NO4S/c1-23(2,38)14-22(37)36-21-11-12-24(41(39,40)18-7-5-17(28)6-8-18)19-10-4-16(13-15(19)3-9-20(21)24)25(29,26(30,31)32)27(33,34)35/h4-8,10,13,20-21,38H,3,9,11-12,14H2,1-2H3,(H,36,37)/t20-,21+,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at human Gal4-fused RORgammat expressed in human Jurkat cells luciferase reporter gene assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00112 BindingDB Entry DOI: 10.7270/Q21R6V6T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383134 ((1R,4r)-4-((3aR,9bR)-9b-((4-fluorophenyl)sulfonyl)...) Show SMILES Cc1cc2c(CC[C@H]3N(CC[C@@]23S(=O)(=O)c2ccc(F)cc2)C(=O)[C@H]2CC[C@@H](CC2)C(O)=O)cc1C(F)(C(F)(F)F)C(F)(F)F |r,wU:7.7,27.33,wD:24.26,11.13,(3.97,2.17,;3.16,.86,;1.62,.91,;.81,-.4,;1.53,-1.76,;.72,-3.07,;-.82,-3.02,;-1.54,-1.66,;-3.04,-1.3,;-3.15,.24,;-1.73,.82,;-.73,-.36,;-.06,1.03,;1.21,1.9,;-.18,2.57,;-.93,2.31,;-2.46,2.19,;-3.33,3.47,;-2.66,4.85,;-3.53,6.13,;-1.12,4.97,;-.26,3.69,;-4.22,-2.29,;-3.94,-3.81,;-5.67,-1.77,;-5.94,-.25,;-7.39,.27,;-8.56,-.73,;-8.29,-2.24,;-6.84,-2.76,;-10.01,-.21,;-10.29,1.31,;-11.19,-1.2,;3.07,-1.81,;3.88,-.5,;5.42,-.55,;5.47,.99,;6.96,-.6,;8.5,-.64,;6.91,-2.13,;7.01,.94,;5.38,-2.09,;4.02,-2.81,;6.68,-2.9,;5.33,-3.63,)| Show InChI InChI=1S/C30H29F8NO5S/c1-16-14-23-19(15-22(16)28(32,29(33,34)35)30(36,37)38)6-11-24-27(23,45(43,44)21-9-7-20(31)8-10-21)12-13-39(24)25(40)17-2-4-18(5-3-17)26(41)42/h7-10,14-15,17-18,24H,2-6,11-13H2,1H3,(H,41,42)/t17-,18-,24-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at Gal4-fused RORgammat (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM392076 (US10301272, Example 7/9) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |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,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)| Show InChI InChI=1S/C30H37N3O5S2/c1-30(2,3)33-40(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-18-9-5-4-6-10-18)32-28(39-26)27(34)31-20-16-19(17-20)29(35)36/h7-8,11-14,18-20,33H,4-6,9-10,15-17H2,1-3H3,(H,31,34)(H,35,36)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human CD4 positive T cells assessed as inhibition of IL17A production in human Th17 cells after 1 hr				Bioorg Med Chem Lett 28: 1446-1455 (2018) Article DOI: 10.1016/j.bmcl.2018.03.093 BindingDB Entry DOI: 10.7270/Q27W6FPC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50090086 (CHEMBL3581533 | US9216988, 92) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccccc2F)c(F)c1 Show InChI InChI=1S/C24H29F2N3O3S/c1-18(30)27-11-13-28(14-12-27)22-10-9-19(24(26)15-22)16-29(21-6-4-7-21)33(31,32)17-20-5-2-3-8-23(20)25/h2-3,5,8-10,15,21H,4,6-7,11-14,16-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...				ACS Med Chem Lett 6: 276-81 (2015) Article DOI: 10.1021/ml500420y BindingDB Entry DOI: 10.7270/Q2TT4SPB
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50577440 (CHEMBL4870074) Show SMILES C[C@H](C[C@H]1CN(c2cc(ccc2O1)-c1cc(F)ccc1F)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human His-tagged RORgamma-LBD expressed in Sf9 cells assessed as inhibition of N-terminal biotinylated co-activator SRC1 recruitm...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00731 BindingDB Entry DOI: 10.7270/Q2DJ5KG2
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268417 (4-[3-(2,6- dichlorobenzoyl)imidazo[1,5 a]pyridin-1...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2Cl)n2ccccc12 Show InChI InChI=1S/C21H12Cl2N2O4/c22-13-4-3-5-14(23)17(13)19(27)20-24-18(15-6-1-2-9-25(15)20)11-7-8-12(21(28)29)16(26)10-11/h1-10,26H,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268425 (4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12 Show InChI InChI=1S/C22H16ClF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h3-5,7-8,10,29H,1-2,6,9H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268439 (4-[3-(2- cyclopropylbenzoyl)imidazo[1,5- a]pyridin...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2ccccc2C2CC2)n2ccccc12 Show InChI InChI=1S/C24H18N2O4/c27-20-13-15(10-11-18(20)24(29)30)21-19-7-3-4-12-26(19)23(25-21)22(28)17-6-2-1-5-16(17)14-8-9-14/h1-7,10-14,27H,8-9H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268449 (4-[6-(azetidine-1-carbonyl)-3-(2- chloro-6-cyclopr...) Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cc(ccc12)C(=O)N1CCC1 Show InChI InChI=1S/C28H22ClN3O4/c29-21-4-1-3-20(16-5-6-16)23(21)25(33)26-30-24(17-7-9-18(10-8-17)28(35)36)22-12-11-19(15-32(22)26)27(34)31-13-2-14-31/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268454 (4-[3-(2-chloro-6-morpholino- benzoyl)imidazo[1,5-a...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2N2CCOCC2)n2ccccc12 Show InChI InChI=1S/C25H20ClN3O5/c26-17-4-3-6-18(28-10-12-34-13-11-28)21(17)23(31)24-27-22(19-5-1-2-9-29(19)24)15-7-8-16(25(32)33)20(30)14-15/h1-9,14,30H,10-13H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50536795 (CHEMBL4522912) Show SMILES C[C@H]1CN(Cc2ccc(cc2F)N2CCN(CC2)C(C)=O)S(=O)(=O)[C@H](CO1)c1ccccc1 |r| Show InChI InChI=1S/C24H30FN3O4S/c1-18-15-28(33(30,31)24(17-32-18)20-6-4-3-5-7-20)16-21-8-9-22(14-23(21)25)27-12-10-26(11-13-27)19(2)29/h3-9,14,18,24H,10-13,15-17H2,1-2H3/t18-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at human RORc-LBD assessed as inhibition of SRC1 co-activator peptide recruitment by FRET assay				Bioorg Med Chem Lett 26: 4455-4461 (2016) Article DOI: 10.1016/j.bmcl.2016.07.081 BindingDB Entry DOI: 10.7270/Q2GX4G3X
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268413 (2-hydroxy-4-[3-[2- (trifluoromethyl)benzoyl]imidaz...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2ccccc2C(F)(F)F)n2ccccc12 Show InChI InChI=1S/C22H13F3N2O4/c23-22(24,25)15-6-2-1-5-13(15)19(29)20-26-18(16-7-3-4-10-27(16)20)12-8-9-14(21(30)31)17(28)11-12/h1-11,28H,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50577425 (CHEMBL4851214) Show SMILES OC(=O)CC[C@H]1CN(c2cc(ccc2O1)-c1cccc(Cl)c1)S(=O)(=O)c1cccc(c1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human His-tagged RORgamma-LBD expressed in Sf9 cells assessed as inhibition of N-terminal biotinylated co-activator SRC1 recruitm...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00731 BindingDB Entry DOI: 10.7270/Q2DJ5KG2
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM414316 (1-((3R,3aS,9bS)-9b-((4-fluorophenyl)sulfonyl)-7-(p...) Show SMILES CC(C)(O)CNC(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H28F8N2O4S/c1-23(2,39)14-36-22(38)37-21-11-12-24(42(40,41)18-7-5-17(28)6-8-18)19-10-4-16(13-15(19)3-9-20(21)24)25(29,26(30,31)32)27(33,34)35/h4-8,10,13,20-21,39H,3,9,11-12,14H2,1-2H3,(H2,36,37,38)/t20-,21+,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at recombinant full-length human Gal4-fused RORgammat expressed in human Jurkat cells incubated for 18 hrs by steady-glo luc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01992 BindingDB Entry DOI: 10.7270/Q2N87FJG
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50553581 (CHEMBL4759786) Show SMILES [H][C@@]12CCc3cc(c(Br)cc3[C@@]1(CCN2C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:17.19,wD:20.26,11.29,1.0,(81.03,-6.64,;79.7,-7.42,;79.71,-5.87,;78.36,-5.09,;77.02,-5.86,;75.68,-5.1,;74.36,-5.87,;74.35,-7.42,;73.02,-8.19,;75.69,-8.19,;77.02,-7.42,;78.37,-8.2,;78.69,-9.71,;80.22,-9.87,;80.85,-8.46,;82.36,-8.14,;82.84,-6.67,;83.39,-9.28,;84.89,-8.95,;85.92,-10.11,;85.44,-11.57,;83.93,-11.88,;82.91,-10.74,;86.47,-12.72,;87.97,-12.41,;85.99,-14.18,;77.27,-9.28,;76.17,-10.37,;75.78,-8.87,;77.65,-10.77,;76.56,-11.84,;76.94,-13.33,;78.43,-13.75,;78.82,-15.24,;79.53,-12.66,;79.14,-11.17,;73.02,-5.1,;71.68,-4.33,;73.02,-3.56,;71.69,-2.79,;74.36,-2.79,;73.01,-2.02,;71.69,-5.87,;70.36,-5.1,;71.69,-7.41,;70.35,-6.63,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at Gal4-fused RORgammat (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127521 BindingDB Entry DOI: 10.7270/Q2SN0DMB
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM414250 (US10435369, Example 137) Show SMILES CC(C)(O)C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F8NO4S/c1-22(2,37)21(36)35-20-11-12-23(40(38,39)17-7-5-16(27)6-8-17)18-10-4-15(13-14(18)3-9-19(20)23)24(28,25(29,30)31)26(32,33)34/h4-8,10,13,19-20,37H,3,9,11-12H2,1-2H3,(H,35,36)/t19-,20+,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at recombinant full-length human Gal4-fused RORgammat expressed in human Jurkat cells incubated for 18 hrs by steady-glo luc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01992 BindingDB Entry DOI: 10.7270/Q2N87FJG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM414319 (US10435369, Example 206) Show SMILES CNC(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H22F8N2O3S/c1-33-20(35)34-19-10-11-21(38(36,37)16-6-4-15(25)5-7-16)17-9-3-14(12-13(17)2-8-18(19)21)22(26,23(27,28)29)24(30,31)32/h3-7,9,12,18-19H,2,8,10-11H2,1H3,(H2,33,34,35)/t18-,19+,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at recombinant full-length human Gal4-fused RORgammat expressed in human Jurkat cells incubated for 18 hrs by steady-glo luc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01992 BindingDB Entry DOI: 10.7270/Q2N87FJG
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50557805 (CHEMBL4750756) Show SMILES [H][C@@]12CCc3nc(ccc3[C@@]1(CC[C@H]2NC(=O)C(C)(C)O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.90	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at human Gal4-fused RORgammat expressed in human Jurkat cells luciferase reporter gene assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00112 BindingDB Entry DOI: 10.7270/Q21R6V6T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50577439 (CHEMBL4859771) Show SMILES C[C@@H](C[C@H]1CN(c2cc(ccc2O1)-c1cc(F)ccc1F)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human His-tagged RORgamma-LBD expressed in Sf9 cells assessed as inhibition of N-terminal biotinylated co-activator SRC1 recruitm...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00731 BindingDB Entry DOI: 10.7270/Q2DJ5KG2
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50106287 (CHEMBL3598148 | US9550771, Example 17) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12 Show InChI InChI=1S/C22H12ClF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h1-10,29H,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...				Bioorg Med Chem Lett 25: 2907-12 (2015) Article DOI: 10.1016/j.bmcl.2015.05.055 BindingDB Entry DOI: 10.7270/Q2HT2R3R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268479 (4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...) Show SMILES OC(=O)c1c(O)cc(cc1F)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12 Show InChI InChI=1S/C22H15ClF4N2O4/c23-12-5-3-4-11(22(25,26)27)16(12)19(31)20-28-18(14-6-1-2-7-29(14)20)10-8-13(24)17(21(32)33)15(30)9-10/h3-5,8-9,30H,1-2,6-7H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268483 (4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...) Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3CCCCc23)c(F)c1O Show InChI InChI=1S/C22H15ClF4N2O4/c23-13-5-3-4-12(22(25,26)27)15(13)19(31)20-28-17(14-6-1-2-9-29(14)20)10-7-8-11(21(32)33)18(30)16(10)24/h3-5,7-8,30H,1-2,6,9H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1730 total )  |  Next  |  Last  >>

Jump to: