Compile Data Set for Download or QSAR

Found 10067 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 (Homo sapiens (Human))	BDBM50543677 (CHEMBL4635823) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCCC[C@@H]2C)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C27H29F6N5O6S2/c1-12-7-5-6-10-38(12)24(39)19-20(45-23(34-19)22-36-35-16(44-22)11-26(3,4)25(40)41)14-8-9-15(18(28)17(14)21(29)30)46(42,43)37-13(2)27(31,32)33/h8-9,12-13,21,37H,5-7,10-11H2,1-4H3,(H,40,41)/t12-,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Binding affinity to recombinant human RORgammat transfected in human HEK293T cells incubated for 24 hrs by dual-glo luciferase reporter gene assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127174 BindingDB Entry DOI: 10.7270/Q2862M1T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM392066 (US10301272, Example 6/64) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NCC(C)(C)C(N)=O)c2ccccc12 Show InChI InChI=1S/C30H40N4O4S2/c1-29(2,3)34-40(37,38)24-16-15-22(20-13-9-10-14-21(20)24)25-23(17-19-11-7-6-8-12-19)33-27(39-25)26(35)32-18-30(4,5)28(31)36/h9-10,13-16,19,34H,6-8,11-12,17-18H2,1-5H3,(H2,31,36)(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at human GAL4 DBD-fused RORgammat LBD (237 to 497 residues) expressed in HEK293T cells assessed as reduction in ROR mediated...				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))	BDBM359566 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES Cn1ncc2CN(Cc12)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C32H26ClF4N5O4/c1-40-25-15-41(14-18(25)13-38-40)28(43)16-5-8-20-24(12-16)42(39-27(20)19-7-6-17(30(45)46)11-23(19)34)29(44)26-21(3-2-4-22(26)33)31(9-10-31)32(35,36)37/h2-4,6-7,11,13,16H,5,8-10,12,14-15H2,1H3,(H,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359568 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES Cn1cc2CN(CCc2n1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C33H28ClF4N5O4/c1-41-15-19-16-42(12-9-25(19)39-41)29(44)17-5-8-21-26(14-17)43(40-28(21)20-7-6-18(31(46)47)13-24(20)35)30(45)27-22(3-2-4-23(27)34)32(10-11-32)33(36,37)38/h2-4,6-7,13,15,17H,5,8-12,14,16H2,1H3,(H,46,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359569 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCn3ncnc3C2)c(F)c1 Show InChI InChI=1S/C31H25ClF4N6O4/c32-21-3-1-2-20(30(8-9-30)31(34,35)36)25(21)28(44)42-23-13-16(27(43)40-10-11-41-24(14-40)37-15-38-41)4-7-19(23)26(39-42)18-6-5-17(29(45)46)12-22(18)33/h1-3,5-6,12,15-16H,4,7-11,13-14H2,(H,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359544 (4-{(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F Show InChI InChI=1S/C30H27ClF3N3O5/c1-42-17-13-36(14-17)26(38)15-5-8-19-23(12-15)37(35-25(19)18-7-6-16(28(40)41)11-22(18)32)27(39)24-20(3-2-4-21(24)31)30(9-10-30)29(33)34/h2-4,6-7,11,15,17,29H,5,8-10,12-14H2,1H3,(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359570 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES Cc1nc2CN(Cc2[nH]1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359543 (4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCC3(CCCO3)C2)c(F)c1 Show InChI InChI=1S/C33H30ClF4N3O5/c34-23-4-1-3-22(32(10-11-32)33(36,37)38)26(23)29(43)41-25-16-18(28(42)40-13-12-31(17-40)9-2-14-46-31)5-8-21(25)27(39-41)20-7-6-19(30(44)45)15-24(20)35/h1,3-4,6-7,15,18H,2,5,8-14,16-17H2,(H,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359567 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCc3[nH]ncc3C2)c(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359571 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)c...) Show SMILES CN(C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)c1cnn(C)c1 Show InChI InChI=1S/C31H26ClF4N5O4/c1-39-15-18(14-37-39)40(2)27(42)16-6-9-20-24(13-16)41(38-26(20)19-8-7-17(29(44)45)12-23(19)33)28(43)25-21(4-3-5-22(25)32)30(10-11-30)31(34,35)36/h3-5,7-8,12,14-16H,6,9-11,13H2,1-2H3,(H,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359545 (4-{(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES COC1(C)CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C31H28ClF4N3O5/c1-29(44-2)14-38(15-29)26(40)16-6-9-19-23(13-16)39(37-25(19)18-8-7-17(28(42)43)12-22(18)33)27(41)24-20(4-3-5-21(24)32)30(10-11-30)31(34,35)36/h3-5,7-8,12,16H,6,9-11,13-15H2,1-2H3,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50281849 (CHEMBL4175305) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(O[C@@H](C)c3ccccc3)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C23H23ClN2O4S/c1-3-31(28,29)20-11-9-17(10-12-20)13-22(27)26-19-14-21(24)23(25-15-19)30-16(2)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,26,27)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inverse agonist activity at human His6-tagged RORgammat LBD (264 to 518 residues) assessed as reduction in biotinylated RIP140 co-activator recruitme...				J Med Chem 61: 6724-6735 (2018) Article DOI: 10.1021/acs.jmedchem.8b00529 BindingDB Entry DOI: 10.7270/Q2Z60RK3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359548 (4-{(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...) Show SMILES COC1(C)CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F Show InChI InChI=1S/C31H29ClF3N3O5/c1-30(43-2)14-37(15-30)26(39)16-6-9-19-23(13-16)38(36-25(19)18-8-7-17(28(41)42)12-22(18)33)27(40)24-20(4-3-5-21(24)32)31(10-11-31)29(34)35/h3-5,7-8,12,16,29H,6,9-11,13-15H2,1-2H3,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM363753 (US9855229, Compound 7) Show SMILES OC(=O)c1ccc(N2C=C(C3C=CC=C(F)C23)C(=O)c2c(Cl)cccc2Cl)c(F)c1 |c:8,11,t:13| Show InChI InChI=1S/C22H13Cl2F2NO3/c23-14-4-2-5-15(24)19(14)21(28)13-10-27(20-12(13)3-1-6-16(20)25)18-8-7-11(22(29)30)9-17(18)26/h1-10,12,20H,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.615	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description The assay is based on the principle that binding of the agonist to the RORγ causes a conformational change around helix 12 in the ligand binding...				J Med Chem 46: 3709-27 (2003) BindingDB Entry DOI: 10.7270/Q20867MM
					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	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at human GAL4 DBD-fused RORgammat LBD (237 to 497 residues) expressed in HEK293T cells assessed as reduction in ROR mediated...				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))	BDBM359540 (4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CC3(C2)CCCO3)c(F)c1 Show InChI InChI=1S/C32H28ClF4N3O5/c33-22-4-1-3-21(31(10-11-31)32(35,36)37)25(22)28(42)40-24-14-17(27(41)39-15-30(16-39)9-2-12-45-30)5-8-20(24)26(38-40)19-7-6-18(29(43)44)13-23(19)34/h1,3-4,6-7,13,17H,2,5,8-12,14-16H2,(H,43,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359547 (4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES CN(C)C1CN(CC1(F)F)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C32H29ClF6N4O4/c1-41(2)24-14-42(15-31(24,35)36)27(44)16-6-9-19-23(13-16)43(40-26(19)18-8-7-17(29(46)47)12-22(18)34)28(45)25-20(4-3-5-21(25)33)30(10-11-30)32(37,38)39/h3-5,7-8,12,16,24H,6,9-11,13-15H2,1-2H3,(H,46,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359582 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CC3(COC3)C2)c(F)c1 Show InChI InChI=1S/C31H26ClF4N3O5/c32-21-3-1-2-20(30(8-9-30)31(34,35)36)24(21)27(41)39-23-11-16(26(40)38-12-29(13-38)14-44-15-29)4-7-19(23)25(37-39)18-6-5-17(28(42)43)10-22(18)33/h1-3,5-6,10,16H,4,7-9,11-15H2,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359577 (4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES CO[C@H]1CN(C[C@@H]1O)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C31H28ClF4N3O6/c1-45-24-14-38(13-23(24)40)27(41)15-5-8-18-22(12-15)39(37-26(18)17-7-6-16(29(43)44)11-21(17)33)28(42)25-19(3-2-4-20(25)32)30(9-10-30)31(34,35)36/h2-4,6-7,11,15,23-24,40H,5,8-10,12-14H2,1H3,(H,43,44)/t15?,23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359535 (US10221142, Example 21A) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCC3(COC3)C2)c(F)c1 Show InChI InChI=1S/C32H28ClF4N3O5/c33-22-3-1-2-21(31(8-9-31)32(35,36)37)25(22)28(42)40-24-13-17(27(41)39-11-10-30(14-39)15-45-16-30)4-7-20(24)26(38-40)19-6-5-18(29(43)44)12-23(19)34/h1-3,5-6,12,17H,4,7-11,13-16H2,(H,43,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM392136 (US10301272, Example 14/6) Show SMILES CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:28.29,wD:30.34,(9.88,-3.89,;9.88,-2.35,;8.54,-1.58,;8.54,-3.12,;9.88,-.81,;7.21,-.81,;7.21,.73,;8.75,.73,;7.21,2.27,;5.67,.73,;4.9,-.6,;3.36,-.6,;2.59,.73,;1.05,.73,;.14,1.98,;-1.32,1.5,;-1.32,-.04,;.14,-.52,;.54,-2,;-.55,-3.09,;-2.03,-2.69,;-3.12,-3.78,;-2.72,-5.27,;-1.24,-5.67,;-.15,-4.58,;-2.65,2.27,;-2.65,3.81,;-3.99,1.5,;-5.32,2.27,;-6.81,1.87,;-7.21,3.36,;-5.72,3.76,;-8.54,4.13,;-8.54,5.67,;-9.88,3.36,;3.36,2.06,;2.59,3.4,;3.36,4.73,;4.9,4.73,;5.67,3.4,;4.9,2.06,)| Show InChI InChI=1S/C31H39N3O5S2/c1-4-31(2,3)34-41(38,39)26-15-14-24(22-12-8-9-13-23(22)26)27-25(16-19-10-6-5-7-11-19)33-29(40-27)28(35)32-21-17-20(18-21)30(36)37/h8-9,12-15,19-21,34H,4-7,10-11,16-18H2,1-3H3,(H,32,35)(H,36,37)/t20-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at human GAL4 DBD-fused RORgammat LBD (237 to 497 residues) expressed in HEK293T cells assessed as reduction in ROR mediated...				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))	BDBM359551 (4-[(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...) Show SMILES O[C@@H]1CN(C[C@@H]1F)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F |r| Show InChI InChI=1S/C30H26ClF4N3O5/c31-19-3-1-2-18(30(8-9-30)29(34)35)24(19)27(41)38-22-11-14(26(40)37-12-21(33)23(39)13-37)4-7-17(22)25(36-38)16-6-5-15(28(42)43)10-20(16)32/h1-3,5-6,10,14,21,23,29,39H,4,7-9,11-13H2,(H,42,43)/t14?,21-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359550 (4-[(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)F)c3CC(CCc23)C(=O)N2CCC3(COC3)C2)c(F)c1 Show InChI InChI=1S/C32H29ClF3N3O5/c33-22-3-1-2-21(32(8-9-32)30(35)36)25(22)28(41)39-24-13-17(27(40)38-11-10-31(14-38)15-44-16-31)4-7-20(24)26(37-39)19-6-5-18(29(42)43)12-23(19)34/h1-3,5-6,12,17,30H,4,7-11,13-16H2,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359586 (4-{(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES OC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C29H24ClF4N3O5/c30-20-3-1-2-19(28(8-9-28)29(32,33)34)23(20)26(40)37-22-11-14(25(39)36-12-16(38)13-36)4-7-18(22)24(35-37)17-6-5-15(27(41)42)10-21(17)31/h1-3,5-6,10,14,16,38H,4,7-9,11-13H2,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359578 (4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES CN(C)[C@H]1CN(C[C@@H]1O)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C32H31ClF4N4O5/c1-39(2)24-14-40(15-25(24)42)28(43)16-6-9-19-23(13-16)41(38-27(19)18-8-7-17(30(45)46)12-22(18)34)29(44)26-20(4-3-5-21(26)33)31(10-11-31)32(35,36)37/h3-5,7-8,12,16,24-25,42H,6,9-11,13-15H2,1-2H3,(H,45,46)/t16?,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359539 (4-{(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C30H26ClF4N3O5/c1-43-17-13-37(14-17)26(39)15-5-8-19-23(12-15)38(36-25(19)18-7-6-16(28(41)42)11-22(18)32)27(40)24-20(3-2-4-21(24)31)29(9-10-29)30(33,34)35/h2-4,6-7,11,15,17H,5,8-10,12-14H2,1H3,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359565 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES CN(Cc1cnn(C)c1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C32H28ClF4N5O4/c1-40(15-17-14-38-41(2)16-17)28(43)18-6-9-21-25(13-18)42(39-27(21)20-8-7-19(30(45)46)12-24(20)34)29(44)26-22(4-3-5-23(26)33)31(10-11-31)32(35,36)37/h3-5,7-8,12,14,16,18H,6,9-11,13,15H2,1-2H3,(H,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM189904 (US10227346, Example 29 | US10426135, Example 29 | ...) Show SMILES Cn1cc(C2CCN(CC2)C(=O)[C@@H]2CCCS2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F |r| Show InChI InChI=1S/C27H26F3N5O2S/c1-34-15-19(17-7-9-35(10-8-17)26(37)21-6-3-11-38-21)22-23(27(28,29)30)20(14-32-24(22)34)33-25(36)18-5-2-4-16(12-18)13-31/h2,4-5,12,14-15,17,21H,3,6-11H2,1H3,(H,33,36)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University									J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2GH9M91
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359584 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CC(C2)N2CC(F)C2)c(F)c1 Show InChI InChI=1S/C32H28ClF5N4O4/c33-23-3-1-2-22(31(8-9-31)32(36,37)38)26(23)29(44)42-25-11-16(28(43)41-14-19(15-41)40-12-18(34)13-40)4-7-21(25)27(39-42)20-6-5-17(30(45)46)10-24(20)35/h1-3,5-6,10,16,18-19H,4,7-9,11-15H2,(H,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359574 (4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CC[C@H](C2)C#N)c(F)c1 |r| Show InChI InChI=1S/C31H25ClF4N4O4/c32-22-3-1-2-21(30(9-10-30)31(34,35)36)25(22)28(42)40-24-13-17(27(41)39-11-8-16(14-37)15-39)4-7-20(24)26(38-40)19-6-5-18(29(43)44)12-23(19)33/h1-3,5-6,12,16-17H,4,7-11,13,15H2,(H,43,44)/t16-,17?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359564 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES CN(CCc1cnn(C)c1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C33H30ClF4N5O4/c1-41(13-10-18-16-39-42(2)17-18)29(44)19-6-9-22-26(15-19)43(40-28(22)21-8-7-20(31(46)47)14-25(21)35)30(45)27-23(4-3-5-24(27)34)32(11-12-32)33(36,37)38/h3-5,7-8,14,16-17,19H,6,9-13,15H2,1-2H3,(H,46,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359555 ((R or S)-4-(6-(((1H- pyrazol-5- yl)methyl)(methyl)...) Show SMILES CN(Cc1ccn[nH]1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359552 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES Cn1nc(c2CN(CCc12)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C34H27ClF7N5O4/c1-45-24-9-12-46(15-20(24)28(44-45)33(37,38)39)29(48)16-5-8-19-25(14-16)47(43-27(19)18-7-6-17(31(50)51)13-23(18)36)30(49)26-21(3-2-4-22(26)35)32(10-11-32)34(40,41)42/h2-4,6-7,13,16H,5,8-12,14-15H2,1H3,(H,50,51)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359541 (4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C32H31ClF4N4O4/c1-39(2)19-10-13-40(16-19)28(42)17-6-9-21-25(15-17)41(38-27(21)20-8-7-18(30(44)45)14-24(20)34)29(43)26-22(4-3-5-23(26)33)31(11-12-31)32(35,36)37/h3-5,7-8,14,17,19H,6,9-13,15-16H2,1-2H3,(H,44,45)/t17?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359541 (4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C32H31ClF4N4O4/c1-39(2)19-10-13-40(16-19)28(42)17-6-9-21-25(15-17)41(38-27(21)20-8-7-18(30(44)45)14-24(20)34)29(43)26-22(4-3-5-23(26)33)31(11-12-31)32(35,36)37/h3-5,7-8,14,17,19H,6,9-13,15-16H2,1-2H3,(H,44,45)/t17?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM189904 (US10227346, Example 29 | US10426135, Example 29 | ...) Show SMILES Cn1cc(C2CCN(CC2)C(=O)[C@@H]2CCCS2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F |r| Show InChI InChI=1S/C27H26F3N5O2S/c1-34-15-19(17-7-9-35(10-8-17)26(37)21-6-3-11-38-21)22-23(27(28,29)30)20(14-32-24(22)34)33-25(36)18-5-2-4-16(12-18)13-31/h2,4-5,12,14-15,17,21H,3,6-11H2,1H3,(H,33,36)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.5	25
Pfizer Inc. US Patent					Assay Description Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...				US Patent US9670201 (2017) BindingDB Entry DOI: 10.7270/Q28G8HWT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM189904 (US10227346, Example 29 | US10426135, Example 29 | ...) Show SMILES Cn1cc(C2CCN(CC2)C(=O)[C@@H]2CCCS2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F |r| Show InChI InChI=1S/C27H26F3N5O2S/c1-34-15-19(17-7-9-35(10-8-17)26(37)21-6-3-11-38-21)22-23(27(28,29)30)20(14-32-24(22)34)33-25(36)18-5-2-4-16(12-18)13-31/h2,4-5,12,14-15,17,21H,3,6-11H2,1H3,(H,33,36)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Napoli					Assay Description The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...				J Med Chem 51: 1764-70 (2008) BindingDB Entry DOI: 10.7270/Q2SF2ZGV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM189904 (US10227346, Example 29 | US10426135, Example 29 | ...) Show SMILES Cn1cc(C2CCN(CC2)C(=O)[C@@H]2CCCS2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F |r| Show InChI InChI=1S/C27H26F3N5O2S/c1-34-15-19(17-7-9-35(10-8-17)26(37)21-6-3-11-38-21)22-23(27(28,29)30)20(14-32-24(22)34)33-25(36)18-5-2-4-16(12-18)13-31/h2,4-5,12,14-15,17,21H,3,6-11H2,1H3,(H,33,36)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...				US Patent US10426135 (2019) BindingDB Entry DOI: 10.7270/Q23N25QB
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM411418 (N-(3-((3R,4R)-1-((R)-2-cyclopentylpropanoyl)- 3-me...) Show SMILES C[C@H](C1CCCC1)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ccc(NS(=O)(=O)c3ccccc3F)cc12 |r| Show InChI InChI=1S/C29H36FN3O3S/c1-19-17-33(29(34)20(2)21-8-4-5-9-21)15-14-23(19)25-18-32(3)27-13-12-22(16-24(25)27)31-37(35,36)28-11-7-6-10-26(28)30/h6-7,10-13,16,18-21,23,31H,4-5,8-9,14-15,17H2,1-3H3/t19-,20+,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description In general, the assay is based on the interaction between N-terminally Six-Histidine-tagged-RORC2 ligand binding domain (6-His-RORC2 LBD), expressed ...				US Patent US10385036 (2019) BindingDB Entry DOI: 10.7270/Q24X5B40
					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	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at human GAL4 DBD-fused RORgammat LBD (237 to 497 residues) expressed in HEK293T cells assessed as reduction in ROR mediated...				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))	BDBM385484 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CC2(C1)CCCO2 |c:6| Show InChI InChI=1S/C32H33ClF3N3O5/c33-23-4-1-3-22(31(12-13-31)32(34,35)36)25(23)28(41)39-24-15-20(27(40)38-16-30(17-38)11-2-14-44-30)9-10-21(24)26(37-39)18-5-7-19(8-6-18)29(42)43/h1,3-5,19-20H,2,6-17H2,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385486 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (difluorom...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F |t:20| Show InChI InChI=1S/C30H32ClF2N3O5/c1-41-19-14-35(15-19)26(37)18-9-10-20-23(13-18)36(34-25(20)16-5-7-17(8-6-16)28(39)40)27(38)24-21(3-2-4-22(24)31)30(11-12-30)29(32)33/h2-5,17-19,29H,6-15H2,1H3,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385488 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES Cn1ncc2CN(Cc12)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |t:24| Show InChI InChI=1S/C32H31ClF3N5O4/c1-39-25-16-40(15-20(25)14-37-39)28(42)19-9-10-21-24(13-19)41(38-27(21)17-5-7-18(8-6-17)30(44)45)29(43)26-22(3-2-4-23(26)33)31(11-12-31)32(34,35)36/h2-5,14,18-19H,6-13,15-16H2,1H3,(H,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385490 (4-((R or S)-1-(2-chloro-6-(1- (trifluoromethyl)cyc...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)c2CC(CCc12)C(=O)N1CC[C@H](C1)C#N |r,c:6| Show InChI InChI=1S/C31H30ClF3N4O4/c32-23-3-1-2-22(30(11-12-30)31(33,34)35)25(23)28(41)39-24-14-20(27(40)38-13-10-17(15-36)16-38)8-9-21(24)26(37-39)18-4-6-19(7-5-18)29(42)43/h1-4,17,19-20H,5-14,16H2,(H,42,43)/t17-,19?,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385474 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES CN(C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)c1ccccn1 |t:15| Show InChI InChI=1S/C32H30ClF3N4O4/c1-39(25-7-2-3-16-37-25)28(41)20-12-13-21-24(17-20)40(38-27(21)18-8-10-19(11-9-18)30(43)44)29(42)26-22(5-4-6-23(26)33)31(14-15-31)32(34,35)36/h2-8,16,19-20H,9-15,17H2,1H3,(H,43,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385476 ((R or S)-4-((R or S)-1- (2-chloro-6-(1- (trifluoro...) Show SMILES CO[C@H]1CN(C[C@@H]1O)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r,t:22| Show InChI InChI=1S/C31H33ClF3N3O6/c1-44-24-15-37(14-23(24)39)27(40)18-9-10-19-22(13-18)38(36-26(19)16-5-7-17(8-6-16)29(42)43)28(41)25-20(3-2-4-21(25)32)30(11-12-30)31(33,34)35/h2-5,17-18,23-24,39H,6-15H2,1H3,(H,42,43)/t17?,18?,23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385434 (4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CC2COCC2C1 |c:6| Show InChI InChI=1S/C31H34ClN3O5/c32-25-3-1-2-23(17-4-5-17)27(25)30(37)35-26-12-20(29(36)34-13-21-15-40-16-22(21)14-34)10-11-24(26)28(33-35)18-6-8-19(9-7-18)31(38)39/h1-3,6,17,19-22H,4-5,7-16H2,(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385435 (4-((6R or S)-1-(2- chloro-6- cyclopropylbenzoyl)-6...) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2CC(CCc12)C(=O)N1CCC2(CCCO2)C1 |c:6| Show InChI InChI=1S/C32H36ClN3O5/c33-25-4-1-3-23(19-5-6-19)27(25)30(38)36-26-17-22(29(37)35-15-14-32(18-35)13-2-16-41-32)11-12-24(26)28(34-36)20-7-9-21(10-8-20)31(39)40/h1,3-4,7,19,21-22H,2,5-6,8-18H2,(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM385456 (US10287272, Example 5A | US10689369, Example 5A) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2C1=CCC(CC1)C(=O)OC(C)(C)C)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |t:20| Show InChI InChI=1S/C34H39ClF3N3O5/c1-32(2,3)46-31(44)20-10-8-19(9-11-20)28-23-13-12-21(29(42)40-17-22(18-40)45-4)16-26(23)41(39-28)30(43)27-24(6-5-7-25(27)35)33(14-15-33)34(36,37)38/h5-8,20-22H,9-18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				Bioorg Med Chem Lett 17: 4363-8 (2007) BindingDB Entry DOI: 10.7270/Q27H1MXW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM338467 ((7R)-2-[[2,5-difluoro-4-[(1R,5S)- 6-(1,2,4-triazol...) Show SMILES Fc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3n2cnnc2)c(F)cc1CN1CCCC[C@H](c2ccccc2)S1(=O)=O |r| Show InChI InChI=1S/C25H27F2N5O2S/c26-21-11-23(30-13-19-20(14-30)25(19)31-15-28-29-16-31)22(27)10-18(21)12-32-9-5-4-8-24(35(32,33)34)17-6-2-1-3-7-17/h1-3,6-7,10-11,15-16,19-20,24-25H,4-5,8-9,12-14H2/t19-,20+,24-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Assays were carried out in 16-microL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9751873 (2017) BindingDB Entry DOI: 10.7270/Q2BC41NZ
					More data for this Ligand-Target Pair

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