Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50047338   

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))	BDBM50161155 (CHEMBL3793229) Show SMILES Cc1ccc(cc1C)S(=O)(=O)N(CC(F)(F)F)c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C18H18ClN3O/c1-22-8-7-12-9-14(19)16-17(21-18(23)20-16)15(12)13(10-22)11-5-3-2-4-6-11/h2-6,9,13H,7-8,10H2,1H3,(H2,20,21,23)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161156 (CHEMBL3793914) Show SMILES Cn1ccc2c(cccc12)S(=O)(=O)N(CC(F)(F)F)c1ccc2N(CCCc2c1)C(=O)c1cccs1 Show InChI InChI=1S/C20H20ClN3S/c1-24-9-8-12-10-14(21)18-19(23-20(25)22-18)16(12)17-13-5-3-2-4-11(13)6-7-15(17)24/h2-5,10,15,17H,6-9H2,1H3,(H2,22,23,25)/t15-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161145 (CHEMBL3793667) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H11ClF9NO3S/c18-11-2-1-3-13(8-11)32(30,31)28(9-14(19,20)21)12-6-4-10(5-7-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161154 (CHEMBL3793036) Show SMILES Cn1ccc2c(cccc12)S(=O)(=O)N(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H19ClN2OS/c1-23-9-8-12-10-14(21)18-19(25-20(24)22-18)16(12)17-13-5-3-2-4-11(13)6-7-15(17)23/h2-5,10,15,17H,6-9H2,1H3,(H,22,24)/t15-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161157 (CHEMBL3792836) Show SMILES Cc1ccc(cc1C)S(=O)(=O)N(CC(F)(F)F)c1ccc2N(CCCc2c1)C(=O)c1cccs1 Show InChI InChI=1S/C17H16ClN3/c18-15-8-12-6-7-19-9-13(11-4-2-1-3-5-11)16(12)14-10-20-21-17(14)15/h1-5,8,10,13,19H,6-7,9H2,(H,20,21)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161110 (CHEMBL3792639) Show SMILES Cc1cc(O)ccc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc2n(C)ccc12 Show InChI InChI=1S/C24H21F3N2O3S/c1-16-14-19(30)10-11-20(16)17-6-8-18(9-7-17)29(15-24(25,26)27)33(31,32)23-5-3-4-22-21(23)12-13-28(22)2/h3-14,30H,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50108881 (CHEMBL3596591) Show SMILES NC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C23H17Cl2FN2O2/c24-17-8-6-15(22(27)29)12-16(17)13-7-9-20-14(11-13)3-2-10-28(20)23(30)21-18(25)4-1-5-19(21)26/h1,4-9,11-12H,2-3,10H2,(H2,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161107 (CHEMBL3793430) Show SMILES Cc1cc2nccn2cc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H17ClF3N3O2S/c1-15-11-21-27-9-10-28(21)13-20(15)16-5-7-18(8-6-16)29(14-22(24,25)26)32(30,31)19-4-2-3-17(23)12-19/h2-13H,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161109 (CHEMBL3793855) Show SMILES Cc1cc(O)ccc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C21H17ClF3NO3S/c1-14-11-18(27)9-10-20(14)15-5-7-17(8-6-15)26(13-21(23,24)25)30(28,29)19-4-2-3-16(22)12-19/h2-12,27H,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161106 (CHEMBL3792498) Show SMILES Cc1cc(CO)ccc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc2n(C)ccc12 Show InChI InChI=1S/C25H23F3N2O3S/c1-17-14-18(15-31)6-11-21(17)19-7-9-20(10-8-19)30(16-25(26,27)28)34(32,33)24-5-3-4-23-22(24)12-13-29(23)2/h3-14,31H,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50108880 (CHEMBL3596640) Show SMILES Cn1ccc2c(cccc12)S(=O)(=O)N(CC(F)(F)F)c1ccc(cc1)-c1cc(ccc1Cl)C(N)=O Show InChI InChI=1S/C24H19ClF3N3O3S/c1-30-12-11-18-21(30)3-2-4-22(18)35(33,34)31(14-24(26,27)28)17-8-5-15(6-9-17)19-13-16(23(29)32)7-10-20(19)25/h2-13H,14H2,1H3,(H2,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161104 (CHEMBL3792627) Show SMILES Cc1cc(ccc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc2n(C)ccc12)C1(CC1)C(O)=O Show InChI InChI=1S/C28H25F3N2O4S/c1-18-16-20(27(13-14-27)26(34)35)8-11-22(18)19-6-9-21(10-7-19)33(17-28(29,30)31)38(36,37)25-5-3-4-24-23(25)12-15-32(24)2/h3-12,15-16H,13-14,17H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161158 (CHEMBL1475054) Show SMILES Cc1ccc(cc1C)S(=O)(=O)Nc1ccc2N(CCCc2c1)C(=O)c1cccs1 Show InChI InChI=1S/C18H18ClN3/c1-22-8-7-13-9-16(19)18-14(10-20-21-18)17(13)15(11-22)12-5-3-2-4-6-12/h2-6,9-10,15H,7-8,11H2,1H3,(H,20,21)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161116 (CHEMBL3794408) Show SMILES Cn1ccc2c(cccc12)S(=O)(=O)N(CC(F)(F)F)c1ccc(cc1)-c1cccc(c1)C(N)=O Show InChI InChI=1S/C24H20F3N3O3S/c1-29-13-12-20-21(29)6-3-7-22(20)34(32,33)30(15-24(25,26)27)19-10-8-16(9-11-19)17-4-2-5-18(14-17)23(28)31/h2-14H,15H2,1H3,(H2,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161102 (CHEMBL3793170) Show SMILES Fc1ccc(cc1-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl)C(=O)N1CCCC1 Show InChI InChI=1S/C27H23ClF2N2O2/c28-21-6-3-7-23(30)25(21)27(34)32-14-4-5-18-15-17(9-11-24(18)32)20-16-19(8-10-22(20)29)26(33)31-12-1-2-13-31/h3,6-11,15-16H,1-2,4-5,12-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161108 (CHEMBL3793608) Show SMILES Cc1cc2nccn2cc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc2n(C)ccc12 Show InChI InChI=1S/C25H21F3N4O2S/c1-17-14-24-29-11-13-31(24)15-21(17)18-6-8-19(9-7-18)32(16-25(26,27)28)35(33,34)23-5-3-4-22-20(23)10-12-30(22)2/h3-15H,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161114 (CHEMBL3794390) Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc2n(C)ccc12 Show InChI InChI=1S/C25H22F3N3O3S/c1-29-24(32)19-6-3-5-18(15-19)17-9-11-20(12-10-17)31(16-25(26,27)28)35(33,34)23-8-4-7-22-21(23)13-14-30(22)2/h3-15H,16H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161115 (CHEMBL3793397) Show SMILES NC(=O)c1cccc(c1)-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C21H16ClF3N2O3S/c22-17-5-2-6-19(12-17)31(29,30)27(13-21(23,24)25)18-9-7-14(8-10-18)15-3-1-4-16(11-15)20(26)28/h1-12H,13H2,(H2,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161144 (CHEMBL3794039) Show SMILES NC(=O)c1ccc(Cl)c(c1)-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15Cl2F3N2O3S/c22-15-2-1-3-17(11-15)32(30,31)28(12-21(24,25)26)16-7-4-13(5-8-16)18-10-14(20(27)29)6-9-19(18)23/h1-11H,12H2,(H2,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161112 (CHEMBL3793917) Show SMILES CNC(=O)c1ccc(F)c(c1)-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc2n(C)ccc12 Show InChI InChI=1S/C25H21F4N3O3S/c1-30-24(33)17-8-11-21(26)20(14-17)16-6-9-18(10-7-16)32(15-25(27,28)29)36(34,35)23-5-3-4-22-19(23)12-13-31(22)2/h3-14H,15H2,1-2H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161098 (CHEMBL3793232) Show SMILES CNS(=O)(=O)c1cccc(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C23H20ClFN2O3S/c1-26-31(29,30)18-7-2-5-15(14-18)16-10-11-21-17(13-16)6-4-12-27(21)23(28)22-19(24)8-3-9-20(22)25/h2-3,5,7-11,13-14,26H,4,6,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161105 (CHEMBL3792422) Show SMILES Cc1cc(CO)ccc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H19ClF3NO3S/c1-15-11-16(13-28)5-10-21(15)17-6-8-19(9-7-17)27(14-22(24,25)26)31(29,30)20-4-2-3-18(23)12-20/h2-12,28H,13-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161111 (CHEMBL3793822) Show SMILES CNC(=O)c1ccc(F)c(c1)-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H17ClF4N2O3S/c1-28-21(30)15-7-10-20(24)19(11-15)14-5-8-17(9-6-14)29(13-22(25,26)27)33(31,32)18-4-2-3-16(23)12-18/h2-12H,13H2,1H3,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161101 (CHEMBL3793403) Show SMILES Fc1cc(cc(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl)C(=O)N1CCOCC1 Show InChI InChI=1S/C27H23ClF2N2O3/c28-22-4-1-5-23(30)25(22)27(34)32-8-2-3-18-13-17(6-7-24(18)32)19-14-20(16-21(29)15-19)26(33)31-9-11-35-12-10-31/h1,4-7,13-16H,2-3,8-12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161113 (CHEMBL3793995) Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H18ClF3N2O3S/c1-27-21(29)17-5-2-4-16(12-17)15-8-10-19(11-9-15)28(14-22(24,25)26)32(30,31)20-7-3-6-18(23)13-20/h2-13H,14H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161100 (CHEMBL3793784) Show SMILES NC(=O)c1ccccc1-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C23H18ClFN2O2/c24-18-8-3-9-19(25)21(18)23(29)27-12-4-5-15-13-14(10-11-20(15)27)16-6-1-2-7-17(16)22(26)28/h1-3,6-11,13H,4-5,12H2,(H2,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161099 (CHEMBL3793422) Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C22H18ClFN2O3S/c23-18-7-2-8-19(24)21(18)22(27)26-11-3-5-16-12-15(9-10-20(16)26)14-4-1-6-17(13-14)30(25,28)29/h1-2,4,6-10,12-13H,3,5,11H2,(H2,25,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161103 (CHEMBL3792473) Show SMILES Cc1cc(ccc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1)C1(CC1)C(O)=O Show InChI InChI=1S/C25H21ClF3NO4S/c1-16-13-18(24(11-12-24)23(31)32)7-10-22(16)17-5-8-20(9-6-17)30(15-25(27,28)29)35(33,34)21-4-2-3-19(26)14-21/h2-10,13-14H,11-12,15H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50108914 (CHEMBL3596596) Show SMILES NC(=O)c1cc(F)cc(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C23H17ClF2N2O2/c24-18-4-1-5-19(26)21(18)23(30)28-8-2-3-14-9-13(6-7-20(14)28)15-10-16(22(27)29)12-17(25)11-15/h1,4-7,9-12H,2-3,8H2,(H2,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM50108881 (CHEMBL3596591) Show SMILES NC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C23H17Cl2FN2O2/c24-17-8-6-15(22(27)29)12-16(17)13-7-9-20-14(11-13)3-2-10-28(20)23(30)21-18(25)4-1-5-19(21)26/h1,4-9,11-12H,2-3,10H2,(H2,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	390	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-alpha transfected in HEK293T cells by Gal4 luciferase reporter gene assay				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-beta (Homo sapiens (Human))	BDBM50108881 (CHEMBL3596591) Show SMILES NC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C23H17Cl2FN2O2/c24-17-8-6-15(22(27)29)12-16(17)13-7-9-20-14(11-13)3-2-10-28(20)23(30)21-18(25)4-1-5-19(21)26/h1,4-9,11-12H,2-3,10H2,(H2,27,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-beta transfected in HEK293T cells by Gal4 luciferase reporter gene assay				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50108881 (CHEMBL3596591) Show SMILES NC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C23H17Cl2FN2O2/c24-17-8-6-15(22(27)29)12-16(17)13-7-9-20-14(11-13)3-2-10-28(20)23(30)21-18(25)4-1-5-19(21)26/h1,4-9,11-12H,2-3,10H2,(H2,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-gamma transfected in HEK293T cells by Gal4 luciferase reporter gene assay				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair