Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with all data for entry = 50007549   

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))	BDBM220233 (US9290476, 77A | US9290476, 77B | US9290476, 77C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C29H25ClF3N5O2/c1-16-5-11-23(17(2)35-16)28(39,25-15-34-37-38(25)3)20-10-12-24-21(14-20)26(30)22(27(36-24)40-4)13-18-6-8-19(9-7-18)29(31,32)33/h5-12,14-15,39H,13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by m...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220233 (US9290476, 77A | US9290476, 77B | US9290476, 77C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C29H25ClF3N5O2/c1-16-5-11-23(17(2)35-16)28(39,25-15-34-37-38(25)3)20-10-12-24-21(14-20)26(30)22(27(36-24)40-4)13-18-6-8-19(9-7-18)29(31,32)33/h5-12,14-15,39H,13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510354 (CHEMBL4441287) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1cc(C)nc(C)c1 Show InChI InChI=1S/C28H30ClF3N6O2/c1-16-11-20(12-17(2)34-16)27(39,24-14-33-36-37(24)3)19-5-6-23-21(13-19)25(29)22(26(35-23)40-4)15-38-9-7-18(8-10-38)28(30,31)32/h5-6,11-14,18,39H,7-10,15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510357 (CHEMBL4543938) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1ccnc(c1)C(F)(F)F Show InChI InChI=1S/C27H25ClF6N6O2/c1-39-22(13-36-38-39)25(41,17-5-8-35-21(12-17)27(32,33)34)16-3-4-20-18(11-16)23(28)19(24(37-20)42-2)14-40-9-6-15(7-10-40)26(29,30)31/h3-5,8,11-13,15,41H,6-7,9-10,14H2,1-2H3	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
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by m...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510349 (CHEMBL4434891) Show SMILES COc1nc2ccc(cc2c(Cl)c1OC(C)C)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C24H26ClN5O3/c1-13(2)33-22-21(25)17-11-16(8-10-19(17)28-23(22)32-6)24(31,20-12-26-29-30(20)5)18-9-7-14(3)27-15(18)4/h7-13,31H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by m...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510355 (CHEMBL4552142) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cncn1C)c1ccnc(c1)C(F)(F)F Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-5-8-37-22(12-18)28(33,34)35)17-3-4-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-6-16(7-10-40)27(30,31)32/h3-5,8,11-13,15-16,41H,6-7,9-10,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510352 (CHEMBL4468588) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C Show InChI InChI=1S/C26H29ClF3N7O2/c1-15-31-12-21(35(15)2)25(38,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)39-4)14-37-9-7-16(8-10-37)26(28,29)30/h5-6,11-13,16,38H,7-10,14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by m...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510357 (CHEMBL4543938) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1ccnc(c1)C(F)(F)F Show InChI InChI=1S/C27H25ClF6N6O2/c1-39-22(13-36-38-39)25(41,17-5-8-35-21(12-17)27(32,33)34)16-3-4-20-18(11-16)23(28)19(24(37-20)42-2)14-40-9-6-15(7-10-40)26(29,30)31/h3-5,8,11-13,15,41H,6-7,9-10,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339252 (US10201546, Example 126b) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cnc(C)n1C)c1ccnc(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H28ClF6N5O2/c1-16-38-14-24(40(16)2)27(42,19-6-9-37-23(13-19)29(34,35)36)18-4-5-22-20(12-18)25(30)21(26(39-22)43-3)15-41-10-7-17(8-11-41)28(31,32)33/h4-6,9,12-14,17,42H,7-8,10-11,15H2,1-3H3/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339276 (US10201546, Example 136a) Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCCC1)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C26H28ClN5O2/c1-15-9-11-20(16(2)29-15)26(33,22-14-28-31-32(22)3)18-10-12-21-19(13-18)24(27)23(25(30-21)34-4)17-7-5-6-8-17/h9-14,17,33H,5-8H2,1-4H3	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
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339227 (US10201546, Example 112c | US10201546, Example 191...) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-4-6-22(37-12-18)28(33,34)35)17-3-5-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-7-16(8-10-40)27(30,31)32/h3-6,11-13,15-16,41H,7-10,14H2,1-2H3/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by m...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510352 (CHEMBL4468588) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C Show InChI InChI=1S/C26H29ClF3N7O2/c1-15-31-12-21(35(15)2)25(38,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)39-4)14-37-9-7-16(8-10-37)26(28,29)30/h5-6,11-13,16,38H,7-10,14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339216 ((4-Chloro-3-((4,4-difluoropiperidin-1-yl)methyl)-2...) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(F)(F)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C27H29ClF2N6O2/c1-16-5-7-21(17(2)32-16)27(37,23-14-31-34-35(23)3)18-6-8-22-19(13-18)24(28)20(25(33-22)38-4)15-36-11-9-26(29,30)10-12-36/h5-8,13-14,37H,9-12,15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339134 (US10201546, Example 68a) Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C25H26ClN5O3/c1-14-5-9-19(15(2)28-14)25(32,21-12-27-30-31(21)3)17-8-10-20-18(11-17)22(26)23(24(29-20)33-4)34-13-16-6-7-16/h5,8-12,16,32H,6-7,13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339207 (US10201546, Example 103a) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C28H30ClF3N6O2/c1-16-5-7-22(17(2)34-16)27(39,24-14-33-36-37(24)3)19-6-8-23-20(13-19)25(29)21(26(35-23)40-4)15-38-11-9-18(10-12-38)28(30,31)32/h5-8,13-14,18,39H,9-12,15H2,1-4H3	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
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510356 (CHEMBL4584135) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CCOCC1)c1cnc(C)n1C Show InChI InChI=1S/C28H34ClF3N4O3/c1-17-33-15-24(35(17)2)27(37,18-8-12-39-13-9-18)20-4-5-23-21(14-20)25(29)22(26(34-23)38-3)16-36-10-6-19(7-11-36)28(30,31)32/h4-5,14-15,18-19,37H,6-13,16H2,1-3H3	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
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510349 (CHEMBL4434891) Show SMILES COc1nc2ccc(cc2c(Cl)c1OC(C)C)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C24H26ClN5O3/c1-13(2)33-22-21(25)17-11-16(8-10-19(17)28-23(22)32-6)24(31,20-12-26-29-30(20)5)18-9-7-14(3)27-15(18)4/h7-13,31H,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339054 (US10201546, Example 14a) Show SMILES COc1nc2ccc(cc2c(Cl)c1CC1CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C25H26ClN5O2/c1-14-5-9-20(15(2)28-14)25(32,22-13-27-30-31(22)3)17-8-10-21-18(12-17)23(26)19(11-16-6-7-16)24(29-21)33-4/h5,8-10,12-13,16,32H,6-7,11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339144 (US10201546, Example 72a) Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C25H24ClF2N5O3/c1-13-5-7-18(14(2)30-13)25(34,20-11-29-32-33(20)3)15-6-8-19-17(9-15)21(26)22(23(31-19)35-4)36-12-16-10-24(16,27)28/h5-9,11,16,34H,10,12H2,1-4H3	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
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510350 (CHEMBL4438967) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CC(C1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C26H26ClF3N6O2/c1-14-5-7-20(15(2)32-14)25(37,22-10-31-34-35(22)3)16-6-8-21-18(9-16)23(27)19(24(33-21)38-4)13-36-11-17(12-36)26(28,29)30/h5-10,17,37H,11-13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510347 (CHEMBL4475244) Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C23H21ClF3N5O2/c1-12-5-7-17(13(2)29-12)23(33,19-11-28-31-32(19)3)14-6-8-18-15(9-14)20(24)16(10-22(25,26)27)21(30-18)34-4/h5-9,11,33H,10H2,1-4H3	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
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510343 (CHEMBL4532727) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C29H29ClF6N4O3/c1-16(41)40-13-20(14-40)27(42,19-4-6-24(37-12-19)29(34,35)36)18-3-5-23-21(11-18)25(30)22(26(38-23)43-2)15-39-9-7-17(8-10-39)28(31,32)33/h3-6,11-12,17,20,42H,7-10,13-15H2,1-2H3	PDB UniProtKB/SwissProt 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
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339227 (US10201546, Example 112c | US10201546, Example 191...) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F |r| Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-4-6-22(37-12-18)28(33,34)35)17-3-5-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-7-16(8-10-40)27(30,31)32/h3-6,11-13,15-16,41H,7-10,14H2,1-2H3/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220190 (US9290476, 33A | US9290476, 33B | US9290476, 33C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C31H25Cl2N5O2/c1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38/h3-15,17-19,39H,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by m...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510346 (CHEMBL4575356) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C Show InChI InChI=1S/C28H32ClF3N6O2/c1-16-33-13-23(36(16)3)27(39,24-14-34-17(2)37(24)4)19-6-7-22-20(12-19)25(29)21(26(35-22)40-5)15-38-10-8-18(9-11-38)28(30,31)32/h6-7,12-14,18,39H,8-11,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510346 (CHEMBL4575356) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C Show InChI InChI=1S/C28H32ClF3N6O2/c1-16-33-13-23(36(16)3)27(39,24-14-34-17(2)37(24)4)19-6-7-22-20(12-19)25(29)21(26(35-22)40-5)15-38-10-8-18(9-11-38)28(30,31)32/h6-7,12-14,18,39H,8-11,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510344 (CHEMBL4555910) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)n1cccn1)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C30H33ClN8O2/c1-19-6-8-25(20(2)34-19)30(40,27-17-32-36-37(27)3)21-7-9-26-23(16-21)28(31)24(29(35-26)41-4)18-38-14-10-22(11-15-38)39-13-5-12-33-39/h5-9,12-13,16-17,22,40H,10-11,14-15,18H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510345 (CHEMBL4517932) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1cnnn1C Show InChI InChI=1S/C26H30ClF3N6O3/c1-15(37)36-12-18(13-36)25(38,22-11-31-33-34(22)2)17-4-5-21-19(10-17)23(27)20(24(32-21)39-3)14-35-8-6-16(7-9-35)26(28,29)30/h4-5,10-11,16,18,38H,6-9,12-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339137 (US10201546, Example 69a) Show SMILES COc1nc2ccc(cc2c(Cl)c1OC1CCOCC1)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C26H28ClN5O4/c1-15-5-7-20(16(2)29-15)26(33,22-14-28-31-32(22)3)17-6-8-21-19(13-17)23(27)24(25(30-21)34-4)36-18-9-11-35-12-10-18/h5-8,13-14,18,33H,9-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510359 (CHEMBL4466031) Show SMILES COc1nc2ccc(cc2c(Cl)c1CC1CCS(=O)(=O)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C27H30ClN5O4S/c1-16-5-7-22(17(2)30-16)27(34,24-15-29-32-33(24)3)19-6-8-23-20(14-19)25(28)21(26(31-23)37-4)13-18-9-11-38(35,36)12-10-18/h5-8,14-15,18,34H,9-13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510358 (CHEMBL4459199) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1cnc(C)n1C Show InChI InChI=1S/C28H33ClF3N5O3/c1-16-33-12-24(35(16)3)27(39,20-13-37(14-20)17(2)38)19-5-6-23-21(11-19)25(29)22(26(34-23)40-4)15-36-9-7-18(8-10-36)28(30,31)32/h5-6,11-12,18,20,39H,7-10,13-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	313	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339048 (US10201546, Example 12a) Show SMILES COc1nc2ccc(cc2c(Cl)c1C)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C22H22ClN5O2/c1-12-6-8-17(14(3)25-12)22(29,19-11-24-27-28(19)4)15-7-9-18-16(10-15)20(23)13(2)21(26-18)30-5/h6-11,29H,1-5H3	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
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339166 (US10201546, Example 83) Show SMILES COc1nc2ccc(cc2c(Cl)c1C(=O)N1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C28H28ClF3N6O3/c1-15-5-7-20(16(2)34-15)27(40,22-14-33-36-37(22)3)18-6-8-21-19(13-18)24(29)23(25(35-21)41-4)26(39)38-11-9-17(10-12-38)28(30,31)32/h5-8,13-14,17,40H,9-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human full length RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as ...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339267 (US10201546, Example 133a) Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C25H28ClN5O2/c1-14(2)11-19-23(26)18-12-17(8-10-21(18)29-24(19)33-6)25(32,22-13-27-30-31(22)5)20-9-7-15(3)28-16(20)4/h7-10,12-14,32H,11H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	844	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510348 (CHEMBL4442831) Show SMILES COc1nc2ccc(cc2c(Cl)c1CC1CCC(F)(F)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C28H30ClF2N5O2/c1-16-5-7-22(17(2)33-16)28(37,24-15-32-35-36(24)3)19-6-8-23-20(14-19)25(29)21(26(34-23)38-4)13-18-9-11-27(30,31)12-10-18/h5-8,14-15,18,37H,9-13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510351 (CHEMBL4571921) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(F)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C27H30ClFN6O2/c1-16-5-7-22(17(2)31-16)27(36,24-14-30-33-34(24)3)18-6-8-23-20(13-18)25(28)21(26(32-23)37-4)15-35-11-9-19(29)10-12-35/h5-8,13-14,19,36H,9-12,15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-DNA binding domain-fused human RORgammat LBD expressed in pGL4.31 transfected HEK293T cells assessed as inhibition o...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339276 (US10201546, Example 136a) Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCCC1)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C26H28ClN5O2/c1-15-9-11-20(16(2)29-15)26(33,22-14-28-31-32(22)3)18-10-12-21-19(13-18)24(27)23(25(30-21)34-4)17-7-5-6-8-17/h9-14,17,33H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339144 (US10201546, Example 72a) Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C25H24ClF2N5O3/c1-13-5-7-18(14(2)30-13)25(34,20-11-29-32-33(20)3)15-6-8-19-17(9-15)21(26)22(23(31-19)35-4)36-12-16-10-24(16,27)28/h5-9,11,16,34H,10,12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510353 (CHEMBL4589288) Show SMILES COc1nc2ccc(cc2c(Cl)c1OCc1nccs1)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C25H23ClN6O3S/c1-14-5-7-18(15(2)29-14)25(33,20-12-28-31-32(20)3)16-6-8-19-17(11-16)22(26)23(24(30-19)34-4)35-13-21-27-9-10-36-21/h5-12,33H,13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339137 (US10201546, Example 69a) Show SMILES COc1nc2ccc(cc2c(Cl)c1OC1CCOCC1)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C26H28ClN5O4/c1-15-5-7-20(16(2)29-15)26(33,22-14-28-31-32(22)3)17-6-8-21-19(13-17)23(27)24(25(30-21)34-4)36-18-9-11-35-12-10-18/h5-8,13-14,18,33H,9-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510350 (CHEMBL4438967) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CC(C1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C26H26ClF3N6O2/c1-14-5-7-20(15(2)32-14)25(37,22-10-31-34-35(22)3)16-6-8-21-18(9-16)23(27)19(24(33-21)38-4)13-36-11-17(12-36)26(28,29)30/h5-10,17,37H,11-13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510351 (CHEMBL4571921) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(F)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C27H30ClFN6O2/c1-16-5-7-22(17(2)31-16)27(36,24-14-30-33-34(24)3)18-6-8-23-20(13-18)25(28)21(26(32-23)37-4)15-35-11-9-19(29)10-12-35/h5-8,13-14,19,36H,9-12,15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339166 (US10201546, Example 83) Show SMILES COc1nc2ccc(cc2c(Cl)c1C(=O)N1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C28H28ClF3N6O3/c1-15-5-7-20(16(2)34-15)27(40,22-14-33-36-37(22)3)18-6-8-21-19(13-18)24(29)23(25(35-21)41-4)26(39)38-11-9-17(10-12-38)28(30,31)32/h5-8,13-14,17,40H,9-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510354 (CHEMBL4441287) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1cc(C)nc(C)c1 Show InChI InChI=1S/C28H30ClF3N6O2/c1-16-11-20(12-17(2)34-16)27(39,24-14-33-36-37(24)3)19-5-6-23-21(13-19)25(29)22(26(35-23)40-4)15-38-9-7-18(8-10-38)28(30,31)32/h5-6,11-14,18,39H,7-10,15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510352 (CHEMBL4468588) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C Show InChI InChI=1S/C26H29ClF3N7O2/c1-15-31-12-21(35(15)2)25(38,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)39-4)14-37-9-7-16(8-10-37)26(28,29)30/h5-6,11-13,16,38H,7-10,14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510355 (CHEMBL4552142) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cncn1C)c1ccnc(c1)C(F)(F)F Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-5-8-37-22(12-18)28(33,34)35)17-3-4-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-6-16(7-10-40)27(30,31)32/h3-5,8,11-13,15-16,41H,6-7,9-10,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510343 (CHEMBL4532727) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C29H29ClF6N4O3/c1-16(41)40-13-20(14-40)27(42,19-4-6-24(37-12-19)29(34,35)36)18-3-5-23-21(11-18)25(30)22(26(38-23)43-2)15-39-9-7-17(8-10-39)28(31,32)33/h3-6,11-12,17,20,42H,7-10,13-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510356 (CHEMBL4584135) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(C1CCOCC1)c1cnc(C)n1C Show InChI InChI=1S/C28H34ClF3N4O3/c1-17-33-15-24(35(17)2)27(37,18-8-12-39-13-9-18)20-4-5-23-21(14-20)25(29)22(26(34-23)38-3)16-36-10-6-19(7-11-36)28(30,31)32/h4-5,14-15,18-19,37H,6-13,16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50510346 (CHEMBL4575356) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C Show InChI InChI=1S/C28H32ClF3N6O2/c1-16-33-13-23(36(16)3)27(39,24-14-34-17(2)37(24)4)19-6-7-22-20(12-19)25(29)21(26(35-22)40-5)15-38-10-8-18(9-11-38)28(30,31)32/h6-7,12-14,18,39H,8-11,15H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220233 (US9290476, 77A | US9290476, 77B | US9290476, 77C) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C Show InChI InChI=1S/C29H25ClF3N5O2/c1-16-5-11-23(17(2)35-16)28(39,25-15-34-37-38(25)3)20-10-12-24-21(14-20)26(30)22(27(36-24)40-4)13-18-6-8-19(9-7-18)29(31,32)33/h5-12,14-15,39H,13H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of thermofluor from human recombinant N-terminal TEV cleavage site-fused-His-tagged RORgammat LBD expressed in Escherichia coli assessed...				Bioorg Med Chem Lett 29: 1463-1470 (2019) Article DOI: 10.1016/j.bmcl.2019.04.021 BindingDB Entry DOI: 10.7270/Q2862KRT
					More data for this Ligand-Target Pair

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