Compile Data Set for Download or QSAR

Found 130 hits Enz. Inhib. hit(s) with all data for entry = 50010949   

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))	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))	BDBM50543664 (CHEMBL4647899) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(CC(C)(C)C(O)=O)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C23H27Cl2F3N2O4S2/c1-4-16(23(26,27)28)30-36(33,34)15-9-8-13(18(24)19(15)25)20-14(10-12-6-5-7-12)29-17(35-20)11-22(2,3)21(31)32/h8-9,12,16,30H,4-7,10-11H2,1-3H3,(H,31,32)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	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))	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	2	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))	BDBM392006 (US10301272, Example 6/4) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NCC(C)(C)O)c2ccccc12 Show InChI InChI=1S/C29H39N3O4S2/c1-28(2,3)32-38(35,36)24-16-15-22(20-13-9-10-14-21(20)24)25-23(17-19-11-7-6-8-12-19)31-27(37-25)26(33)30-18-29(4,5)34/h9-10,13-16,19,32,34H,6-8,11-12,17-18H2,1-5H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	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))	BDBM285771 (US10080744, Example 3/38) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C27H30F6N4O5S2/c1-4-17(27(31,32)33)37-44(40,41)16-10-9-14(19(20(16)28)22(29)30)21-15(11-13-7-5-6-8-13)34-24(43-21)23-36-35-18(42-23)12-26(2,3)25(38)39/h9-10,13,17,22,37H,4-8,11-12H2,1-3H3,(H,38,39)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	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))	BDBM50543668 (CHEMBL4632527) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)C(O)=O)n2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C24H25Cl2F3N4O5S2/c1-11(24(27,28)29)33-40(36,37)15-8-7-13(17(25)18(15)26)19-14(9-12-5-4-6-12)30-21(39-19)20-31-16(38-32-20)10-23(2,3)22(34)35/h7-8,11-12,33H,4-6,9-10H2,1-3H3,(H,34,35)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	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))	BDBM285759 (US10080744, Example 3/26) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C28H32F6N4O5S2/c1-4-18(28(32,33)34)38-45(41,42)17-11-10-15(20(21(17)29)23(30)31)22-16(12-14-8-6-5-7-9-14)35-25(44-22)24-37-36-19(43-24)13-27(2,3)26(39)40/h10-11,14,18,23,38H,4-9,12-13H2,1-3H3,(H,39,40)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	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))	BDBM50543663 (CHEMBL4647734) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(CC(C)(C)C(O)=O)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C22H25Cl2F3N2O4S2/c1-11(22(25,26)27)29-35(32,33)15-8-7-13(17(23)18(15)24)19-14(9-12-5-4-6-12)28-16(34-19)10-21(2,3)20(30)31/h7-8,11-12,29H,4-6,9-10H2,1-3H3,(H,30,31)/t11-/m0/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
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))	BDBM285735 (US10080744, Example 3/3) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F |r| Show InChI InChI=1S/C28H29F3N4O5S2/c1-15(28(29,30)31)35-42(38,39)21-12-11-19(17-9-4-5-10-18(17)21)23-20(13-16-7-6-8-16)32-25(41-23)24-34-33-22(40-24)14-27(2,3)26(36)37/h4-5,9-12,15-16,35H,6-8,13-14H2,1-3H3,(H,36,37)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	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))	BDBM50543673 (CHEMBL4633899) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2Cc2ccc(F)cc2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C27H23F7N4O5S2/c1-12(27(32,33)34)38-45(41,42)17-9-8-15(19(20(17)29)22(30)31)21-16(10-13-4-6-14(28)7-5-13)35-24(44-21)23-37-36-18(43-23)11-26(2,3)25(39)40/h4-9,12,22,38H,10-11H2,1-3H3,(H,39,40)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	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))	BDBM50543670 (CHEMBL4649094) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cc(CC(C)(C)C(O)=O)on2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C25H26Cl2F3N3O5S2/c1-12(25(28,29)30)33-40(36,37)18-8-7-15(19(26)20(18)27)21-16(9-13-5-4-6-13)31-22(39-21)17-10-14(38-32-17)11-24(2,3)23(34)35/h7-8,10,12-13,33H,4-6,9,11H2,1-3H3,(H,34,35)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	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))	BDBM50543674 (CHEMBL4637003) Show SMILES CC(C)Cc1nc(sc1-c1ccc(c(F)c1C(F)F)S(=O)(=O)N[C@@H](C)C(F)(F)F)-c1nnc(CC(C)(C)C(O)=O)o1 |r| Show InChI InChI=1S/C24H26F6N4O5S2/c1-10(2)8-13-18(40-21(31-13)20-33-32-15(39-20)9-23(4,5)22(35)36)12-6-7-14(17(25)16(12)19(26)27)41(37,38)34-11(3)24(28,29)30/h6-7,10-11,19,34H,8-9H2,1-5H3,(H,35,36)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	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))	BDBM285815 (US10080744, Example 18) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cnc(CC(C)(C)C(O)=O)s2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C25H26Cl2F3N3O4S3/c1-12(25(28,29)30)33-40(36,37)17-8-7-14(19(26)20(17)27)21-15(9-13-5-4-6-13)32-22(39-21)16-11-31-18(38-16)10-24(2,3)23(34)35/h7-8,11-13,33H,4-6,9-10H2,1-3H3,(H,34,35)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	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))	BDBM50543667 (CHEMBL4641138) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(CC(C)(C)C(O)=O)nc2CC2CCC2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C24H28F6N2O4S2/c1-4-16(24(28,29)30)32-38(35,36)15-9-8-13(18(19(15)25)21(26)27)20-14(10-12-6-5-7-12)31-17(37-20)11-23(2,3)22(33)34/h8-9,12,16,21,32H,4-7,10-11H2,1-3H3,(H,33,34)/t16-/m0/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
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))	BDBM50543682 (CHEMBL4642733) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)-c2nnc(CC(C)(C)O)o2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C25H27Cl2F4N5O5S2/c1-4-15(25(29,30)31)35-43(39,40)14-6-5-13(17(26)18(14)27)20-19(23(37)36-9-7-12(28)8-10-36)32-22(42-20)21-34-33-16(41-21)11-24(2,3)38/h5-6,12,15,35,38H,4,7-11H2,1-3H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	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))	BDBM285730 (US10080744, Example 1/1) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(o2)C(C)(C)O)c2ccccc12 Show InChI InChI=1S/C29H36N4O4S2/c1-28(2,3)33-39(35,36)23-16-15-21(19-13-9-10-14-20(19)23)24-22(17-18-11-7-6-8-12-18)30-26(38-24)25-31-32-27(37-25)29(4,5)34/h9-10,13-16,18,33-34H,6-8,11-12,17H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	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))	BDBM50543671 (CHEMBL4649210) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cc(CC(C)(C)C(O)=O)ncn2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C26H27Cl2F3N4O4S2/c1-13(26(29,30)31)35-41(38,39)19-8-7-16(20(27)21(19)28)22-17(9-14-5-4-6-14)34-23(40-22)18-10-15(32-12-33-18)11-25(2,3)24(36)37/h7-8,10,12-14,35H,4-6,9,11H2,1-3H3,(H,36,37)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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))	BDBM50543669 (CHEMBL4632490) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)s2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C24H25Cl2F3N4O4S3/c1-11(24(27,28)29)33-40(36,37)15-8-7-13(17(25)18(15)26)19-14(9-12-5-4-6-12)30-20(39-19)21-32-31-16(38-21)10-23(2,3)22(34)35/h7-8,11-12,33H,4-6,9-10H2,1-3H3,(H,34,35)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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))	BDBM50543665 (CHEMBL4649863) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(CC(C)(C)C(O)=O)nc2CC2CCC2)c(Cl)c1)C(F)(F)F |r| Show InChI InChI=1S/C23H28ClF3N2O4S2/c1-4-18(23(25,26)27)29-35(32,33)14-8-9-15(16(24)11-14)20-17(10-13-6-5-7-13)28-19(34-20)12-22(2,3)21(30)31/h8-9,11,13,18,29H,4-7,10,12H2,1-3H3,(H,30,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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-beta (Homo sapiens (Human))	BDBM50543669 (CHEMBL4632490) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)s2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C24H25Cl2F3N4O4S3/c1-11(24(27,28)29)33-40(36,37)15-8-7-13(17(25)18(15)26)19-14(9-12-5-4-6-12)30-20(39-19)21-32-31-16(38-21)10-23(2,3)22(34)35/h7-8,11-12,33H,4-6,9-10H2,1-3H3,(H,34,35)/t11-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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 RORbeta 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))	BDBM50543679 (CHEMBL4648849) Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)S(=O)(=O)N[C@@H](C)C(F)(F)F)-c1nnc(o1)C(C)(C)O |r| Show InChI InChI=1S/C22H24Cl2F3N5O5S2/c1-6-32(7-2)19(33)15-16(38-18(28-15)17-29-30-20(37-17)21(4,5)34)11-8-9-12(14(24)13(11)23)39(35,36)31-10(3)22(25,26)27/h8-10,31,34H,6-7H2,1-5H3/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	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))	BDBM50543676 (CHEMBL4642674) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C26H27F8N5O5S2/c1-12(26(32,33)34)38-46(42,43)15-6-5-13(17(18(15)27)20(28)29)19-14(10-39-8-4-7-25(30,31)11-39)35-22(45-19)21-37-36-16(44-21)9-24(2,3)23(40)41/h5-6,12,20,38H,4,7-11H2,1-3H3,(H,40,41)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	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))	BDBM50543684 (CHEMBL4633325) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)(F)CC2)-c2nnc(n2C)C(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C24H25Cl2F5N6O4S2/c1-11(24(29,30)31)35-43(40,41)13-6-5-12(14(25)15(13)26)17-16(20(38)37-9-7-23(27,28)8-10-37)32-19(42-17)18-33-34-21(36(18)4)22(2,3)39/h5-6,11,35,39H,7-10H2,1-4H3/t11-/m0/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
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))	BDBM50543675 (CHEMBL4641039) Show SMILES COC(C)(C)Cc1nc(sc1-c1ccc(c(F)c1C(F)F)S(=O)(=O)N[C@@H](C)C(F)(F)F)-c1nnc(CC(C)(C)C(O)=O)o1 |r| Show InChI InChI=1S/C25H28F6N4O6S2/c1-11(25(29,30)31)35-43(38,39)14-8-7-12(16(17(14)26)19(27)28)18-13(9-24(4,5)40-6)32-21(42-18)20-34-33-15(41-20)10-23(2,3)22(36)37/h7-8,11,19,35H,9-10H2,1-6H3,(H,36,37)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	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))	BDBM50543668 (CHEMBL4632527) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)C(O)=O)n2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C24H25Cl2F3N4O5S2/c1-11(24(27,28)29)33-40(36,37)15-8-7-13(17(25)18(15)26)19-14(9-12-5-4-6-12)30-21(39-19)20-31-16(38-32-20)10-23(2,3)22(34)35/h7-8,11-12,33H,4-6,9-10H2,1-3H3,(H,34,35)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a production				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))	BDBM50543683 (CHEMBL4634974) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)-c2noc(n2)C(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C23H23Cl2F4N5O5S2/c1-10(23(27,28)29)33-41(37,38)13-5-4-12(14(24)15(13)25)17-16(20(35)34-8-6-11(26)7-9-34)30-19(40-17)18-31-21(39-32-18)22(2,3)36/h4-5,10-11,33,36H,6-9H2,1-3H3/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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))	BDBM50543672 (CHEMBL4634072) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(o2)[C@H]2C[C@@H](C2)C(O)=O)c(Cl)c1Cl)C(F)(F)F |r,wU:25.27,wD:27.32,1.0,(60.84,-8,;59.51,-7.23,;58.18,-8,;56.84,-7.23,;57.61,-5.9,;56.07,-5.9,;55.51,-8,;55.51,-9.54,;54.19,-10.31,;52.84,-9.55,;51.51,-10.32,;50.11,-9.69,;49.08,-10.84,;49.84,-12.17,;51.35,-11.85,;52.44,-12.94,;52.04,-14.42,;52.83,-15.78,;51.5,-16.55,;50.71,-15.2,;47.54,-10.84,;46.63,-9.59,;45.17,-10.07,;45.17,-11.61,;46.63,-12.08,;43.84,-12.38,;43.43,-13.89,;41.94,-13.49,;42.35,-11.97,;40.61,-14.26,;40.61,-15.8,;39.28,-13.49,;52.84,-8,;51.51,-7.23,;54.18,-7.24,;54.18,-5.7,;59.51,-5.69,;58.18,-4.93,;60.84,-4.93,;59.51,-4.17,)| Show InChI InChI=1S/C24H23Cl2F3N4O5S2/c1-10(24(27,28)29)33-40(36,37)16-6-5-14(17(25)18(16)26)19-15(7-11-3-2-4-11)30-22(39-19)21-32-31-20(38-21)12-8-13(9-12)23(34)35/h5-6,10-13,33H,2-4,7-9H2,1H3,(H,34,35)/t10-,12-,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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))	BDBM50543680 (CHEMBL4649427) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)(F)CC2)-c2nnc(o2)C(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C23H22Cl2F5N5O5S2/c1-10(23(28,29)30)34-42(38,39)12-5-4-11(13(24)14(12)25)16-15(19(36)35-8-6-22(26,27)7-9-35)31-18(41-16)17-32-33-20(40-17)21(2,3)37/h4-5,10,34,37H,6-9H2,1-3H3/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	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))	BDBM50543681 (CHEMBL4644116) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)-c2nnc(o2)C(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C23H23Cl2F4N5O5S2/c1-10(23(27,28)29)33-41(37,38)13-5-4-12(14(24)15(13)25)17-16(20(35)34-8-6-11(26)7-9-34)30-19(40-17)18-31-32-21(39-18)22(2,3)36/h4-5,10-11,33,36H,6-9H2,1-3H3/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	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))	BDBM50543666 (CHEMBL4645942) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(CC(C)(C)C(O)=O)nc2CC2CCC2)c(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C23H26F6N2O4S2/c1-12(22(24,25)26)31-37(34,35)14-7-8-15(16(10-14)23(27,28)29)19-17(9-13-5-4-6-13)30-18(36-19)11-21(2,3)20(32)33/h7-8,10,12-13,31H,4-6,9,11H2,1-3H3,(H,32,33)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	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-beta (Homo sapiens (Human))	BDBM50543671 (CHEMBL4649210) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cc(CC(C)(C)C(O)=O)ncn2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C26H27Cl2F3N4O4S2/c1-13(26(29,30)31)35-41(38,39)19-8-7-16(20(27)21(19)28)22-17(9-14-5-4-6-14)34-23(40-22)18-10-15(32-12-33-18)11-25(2,3)24(36)37/h7-8,10,12-14,35H,4-6,9,11H2,1-3H3,(H,36,37)/t13-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	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 RORbeta 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))	BDBM50543680 (CHEMBL4649427) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)(F)CC2)-c2nnc(o2)C(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C23H22Cl2F5N5O5S2/c1-10(23(28,29)30)34-42(38,39)12-5-4-11(13(24)14(12)25)16-15(19(36)35-8-6-22(26,27)7-9-35)31-18(41-16)17-32-33-20(40-17)21(2,3)37/h4-5,10,34,37H,6-9H2,1-3H3/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a production				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 (Mus musculus)	BDBM50543679 (CHEMBL4648849) Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)S(=O)(=O)N[C@@H](C)C(F)(F)F)-c1nnc(o1)C(C)(C)O |r| Show InChI InChI=1S/C22H24Cl2F3N5O5S2/c1-6-32(7-2)19(33)15-16(38-18(28-15)17-29-30-20(37-17)21(4,5)34)11-8-9-12(14(24)13(11)23)39(35,36)31-10(3)22(25,26)27/h8-10,31,34H,6-7H2,1-5H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in mouse whole blood assessed as reduction in IL-17a production				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 (Mus musculus)	BDBM50543682 (CHEMBL4642733) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)-c2nnc(CC(C)(C)O)o2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C25H27Cl2F4N5O5S2/c1-4-15(25(29,30)31)35-43(39,40)14-6-5-13(17(26)18(14)27)20-19(23(37)36-9-7-12(28)8-10-36)32-22(42-20)21-34-33-16(41-21)11-24(2,3)38/h5-6,12,15,35,38H,4,7-11H2,1-3H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in mouse whole blood assessed as reduction in IL-17a production				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-beta (Homo sapiens (Human))	BDBM285815 (US10080744, Example 18) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cnc(CC(C)(C)C(O)=O)s2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C25H26Cl2F3N3O4S3/c1-12(25(28,29)30)33-40(36,37)17-8-7-14(19(26)20(17)27)21-15(9-13-5-4-6-13)32-22(39-21)16-11-31-18(38-16)10-24(2,3)23(34)35/h7-8,11-13,33H,4-6,9-10H2,1-3H3,(H,34,35)/t12-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	148	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 RORbeta 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-beta (Homo sapiens (Human))	BDBM50543670 (CHEMBL4649094) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cc(CC(C)(C)C(O)=O)on2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C25H26Cl2F3N3O5S2/c1-12(25(28,29)30)33-40(36,37)18-8-7-15(19(26)20(18)27)21-16(9-13-5-4-6-13)31-22(39-21)17-10-14(38-32-17)11-24(2,3)23(34)35/h7-8,10,12-13,33H,4-6,9,11H2,1-3H3,(H,34,35)/t12-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	189	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 RORbeta 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))	BDBM50543664 (CHEMBL4647899) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(CC(C)(C)C(O)=O)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C23H27Cl2F3N2O4S2/c1-4-16(23(26,27)28)30-36(33,34)15-9-8-13(18(24)19(15)25)20-14(10-12-6-5-7-12)29-17(35-20)11-22(2,3)21(31)32/h8-9,12,16,30H,4-7,10-11H2,1-3H3,(H,31,32)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a production				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))	BDBM50543682 (CHEMBL4642733) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)-c2nnc(CC(C)(C)O)o2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C25H27Cl2F4N5O5S2/c1-4-15(25(29,30)31)35-43(39,40)14-6-5-13(17(26)18(14)27)20-19(23(37)36-9-7-12(28)8-10-36)32-22(42-20)21-34-33-16(41-21)11-24(2,3)38/h5-6,12,15,35,38H,4,7-11H2,1-3H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a production				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 (Mus musculus)	BDBM50543680 (CHEMBL4649427) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)(F)CC2)-c2nnc(o2)C(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C23H22Cl2F5N5O5S2/c1-10(23(28,29)30)34-42(38,39)12-5-4-11(13(24)14(12)25)16-15(19(36)35-8-6-22(26,27)7-9-35)31-18(41-16)17-32-33-20(40-17)21(2,3)37/h4-5,10,34,37H,6-9H2,1-3H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	196	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in mouse whole blood assessed as reduction in IL-17a production				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))	BDBM50543676 (CHEMBL4642674) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C26H27F8N5O5S2/c1-12(26(32,33)34)38-46(42,43)15-6-5-13(17(18(15)27)20(28)29)19-14(10-39-8-4-7-25(30,31)11-39)35-22(45-19)21-37-36-16(44-21)9-24(2,3)23(40)41/h5-6,12,20,38H,4,7-11H2,1-3H3,(H,40,41)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a production				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 (Mus musculus)	BDBM285771 (US10080744, Example 3/38) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C27H30F6N4O5S2/c1-4-17(27(31,32)33)37-44(40,41)16-10-9-14(19(20(16)28)22(29)30)21-15(11-13-7-5-6-8-13)34-24(43-21)23-36-35-18(42-23)12-26(2,3)25(38)39/h9-10,13,17,22,37H,4-8,11-12H2,1-3H3,(H,38,39)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in mouse whole blood assessed as reduction in IL-17a production				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))	BDBM285759 (US10080744, Example 3/26) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C28H32F6N4O5S2/c1-4-18(28(32,33)34)38-45(41,42)17-11-10-15(20(21(17)29)23(30)31)22-16(12-14-8-6-5-7-9-14)35-25(44-22)24-37-36-19(43-24)13-27(2,3)26(39)40/h10-11,14,18,23,38H,4-9,12-13H2,1-3H3,(H,39,40)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a production				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))	BDBM50543667 (CHEMBL4641138) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(CC(C)(C)C(O)=O)nc2CC2CCC2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C24H28F6N2O4S2/c1-4-16(24(28,29)30)32-38(35,36)15-9-8-13(18(19(15)25)21(26)27)20-14(10-12-6-5-7-12)31-17(37-20)11-23(2,3)22(33)34/h8-9,12,16,21,32H,4-7,10-11H2,1-3H3,(H,33,34)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a production				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))	BDBM50543681 (CHEMBL4644116) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)-c2nnc(o2)C(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C23H23Cl2F4N5O5S2/c1-10(23(27,28)29)33-41(37,38)13-5-4-12(14(24)15(13)25)17-16(20(35)34-8-6-11(26)7-9-34)30-19(40-17)18-31-32-21(39-18)22(2,3)36/h4-5,10-11,33,36H,6-9H2,1-3H3/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	281	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a production				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))	BDBM50543683 (CHEMBL4634974) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)-c2noc(n2)C(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C23H23Cl2F4N5O5S2/c1-10(23(27,28)29)33-41(37,38)13-5-4-12(14(24)15(13)25)17-16(20(35)34-8-6-11(26)7-9-34)30-19(40-17)18-31-21(39-32-18)22(2,3)36/h4-5,10-11,33,36H,6-9H2,1-3H3/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	327	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a production				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))	BDBM50543673 (CHEMBL4633899) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2Cc2ccc(F)cc2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C27H23F7N4O5S2/c1-12(27(32,33)34)38-45(41,42)17-9-8-15(19(20(17)29)22(30)31)21-16(10-13-4-6-14(28)7-5-13)35-24(44-21)23-37-36-18(43-23)11-26(2,3)25(39)40/h4-9,12,22,38H,10-11H2,1-3H3,(H,39,40)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a production				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-beta (Homo sapiens (Human))	BDBM50543664 (CHEMBL4647899) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(CC(C)(C)C(O)=O)nc2CC2CCC2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C23H27Cl2F3N2O4S2/c1-4-16(23(26,27)28)30-36(33,34)15-9-8-13(18(24)19(15)25)20-14(10-12-6-5-7-12)29-17(35-20)11-22(2,3)21(31)32/h8-9,12,16,30H,4-7,10-11H2,1-3H3,(H,31,32)/t16-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	436	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 RORbeta 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 (Mus musculus)	BDBM50543676 (CHEMBL4642674) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C26H27F8N5O5S2/c1-12(26(32,33)34)38-46(42,43)15-6-5-13(17(18(15)27)20(28)29)19-14(10-39-8-4-7-25(30,31)11-39)35-22(45-19)21-37-36-16(44-21)9-24(2,3)23(40)41/h5-6,12,20,38H,4,7-11H2,1-3H3,(H,40,41)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	448	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in mouse whole blood assessed as reduction in IL-17a production				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))	BDBM50543665 (CHEMBL4649863) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(CC(C)(C)C(O)=O)nc2CC2CCC2)c(Cl)c1)C(F)(F)F |r| Show InChI InChI=1S/C23H28ClF3N2O4S2/c1-4-18(23(25,26)27)29-35(32,33)14-8-9-15(16(24)11-14)20-17(10-13-6-5-7-13)28-19(34-20)12-22(2,3)21(30)31/h8-9,11,13,18,29H,4-7,10,12H2,1-3H3,(H,30,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a production				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))	BDBM50543679 (CHEMBL4648849) Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)S(=O)(=O)N[C@@H](C)C(F)(F)F)-c1nnc(o1)C(C)(C)O |r| Show InChI InChI=1S/C22H24Cl2F3N5O5S2/c1-6-32(7-2)19(33)15-16(38-18(28-15)17-29-30-20(37-17)21(4,5)34)11-8-9-12(14(24)13(11)23)39(35,36)31-10(3)22(25,26)27/h8-10,31,34H,6-7H2,1-5H3/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL-17a production				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

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