Compile Data Set for Download or QSAR

Found 2353 hits with Last Name = 'kummer' and Initial = 'da'   

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))	BDBM339271 (US10201546, Example 134b) Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)[C@@](O)(c1cnnn1C)c1cnc(C)n1C |r| Show InChI InChI=1S/C23H27ClN6O2/c1-13(2)9-17-21(24)16-10-15(7-8-18(16)27-22(17)32-6)23(31,20-12-26-28-30(20)5)19-11-25-14(3)29(19)4/h7-8,10-13,31H,9H2,1-6H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339272 (US10201546, Example 134c) Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)[C@](O)(c1cnnn1C)c1cnc(C)n1C |r| Show InChI InChI=1S/C23H27ClN6O2/c1-13(2)9-17-21(24)16-10-15(7-8-18(16)27-22(17)32-6)23(31,20-12-26-28-30(20)5)19-11-25-14(3)29(19)4/h7-8,10-13,31H,9H2,1-6H3/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					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	3.30	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))	BDBM339171 (US10201546, Example 85c) Show SMILES COc1nc2ccc(cc2c(Cl)c1OC(C)C)[C@@](O)(c1cnnn1C)c1sc(C)nc1C |r| Show InChI InChI=1S/C22H24ClN5O3S/c1-11(2)31-19-18(23)15-9-14(7-8-16(15)26-21(19)30-6)22(29,17-10-24-27-28(17)5)20-12(3)25-13(4)32-20/h7-11,29H,1-6H3/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					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))	BDBM50451743 (CHEMBL4205065) Show SMILES Cn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1ccnc2ccccc12 Show InChI InChI=1S/C29H20Cl2N4O/c1-35-17-32-16-25(35)29(36,22-13-14-33-23-10-6-5-9-20(22)23)19-11-12-24-21(15-19)27(30)26(28(31)34-24)18-7-3-2-4-8-18/h2-17,36H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339269 (US10201546, Example 133c) Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)[C@](O)(c1cnnn1C)c1ccc(C)nc1C |r| 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/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM220218 (US9290476, 61) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cnnn1C)c1cnnn1C Show InChI InChI=1S/C27H24ClN9O2/c1-35-23(15-29-33-35)27(38,24-16-30-34-36(24)2)18-7-10-22-20(14-18)25(28)21(26(32-22)39-3)13-17-5-8-19(9-6-17)37-12-4-11-31-37/h4-12,14-16,38H,13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239059 (CHEMBL4059503) Show SMILES CN(C)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1 Show InChI InChI=1S/C27H24ClN5O/c1-32(2)26-24(18-7-5-4-6-8-18)25(28)21-15-20(9-10-22(21)31-26)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.5	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 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239059 (CHEMBL4059503) Show SMILES CN(C)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1 Show InChI InChI=1S/C27H24ClN5O/c1-32(2)26-24(18-7-5-4-6-8-18)25(28)21-15-20(9-10-22(21)31-26)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.5	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 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM339385 (US10201546, Example 225c) Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F |r| Show InChI InChI=1S/C23H17ClF6N4O2/c1-34-11-31-10-18(34)22(35,13-5-6-32-17(8-13)23(28,29)30)12-3-4-16-14(7-12)19(24)15(9-21(25,26)27)20(33-16)36-2/h3-8,10-11,35H,9H2,1-2H3/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339273 (US10201546, Example 135a) Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCCC1)C(O)(c1cnnn1C)c1cnc(C)n1C Show InChI InChI=1S/C24H27ClN6O2/c1-14-26-12-19(30(14)2)24(32,20-13-27-29-31(20)3)16-9-10-18-17(11-16)22(25)21(23(28-18)33-4)15-7-5-6-8-15/h9-13,15,32H,5-8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					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	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518,Y502F] (Homo sapiens (Human))	BDBM221253 (US9303015, 27a | US9303015, 27b | US9303015, 27c) Show SMILES CCN(CC)c1nc2ccc(cc2c(c1Oc1ccc(Cl)cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C31H26ClF6N5O2/c1-4-43(5-2)28-27(45-21-10-8-20(32)9-11-21)26(31(36,37)38)22-14-18(6-12-23(22)41-28)29(44,25-16-39-17-42(25)3)19-7-13-24(40-15-19)30(33,34)35/h6-17,44H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...				US Patent US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					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))	BDBM50239056 (CHEMBL4062264) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1 Show InChI InChI=1S/C29H28ClN5O/c1-4-35(5-2)28-26(20-9-7-6-8-10-20)27(30)23-17-22(11-12-24(23)33-28)29(36,21-13-15-31-16-14-21)25-18-32-19-34(25)3/h6-19,36H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	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 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50239059 (CHEMBL4059503) Show SMILES CN(C)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)C(O)(c1cncn1C)c1ccncc1 Show InChI InChI=1S/C27H24ClN5O/c1-32(2)26-24(18-7-5-4-6-8-18)25(28)21-15-20(9-10-22(21)31-26)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	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 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339278 (US10201546, Example 136c) Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCCC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C |r| 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/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339279 (US10201546, Example 137) Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C Show InChI InChI=1S/C21H20ClF3N6O2/c1-11-26-9-16(30(11)2)21(32,17-10-27-29-31(17)3)12-5-6-15-13(7-12)18(22)14(8-20(23,24)25)19(28-15)33-4/h5-7,9-10,32H,8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339200 (US10201546, Example 100c) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F |r| 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/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339405 (US10201546, Example 244c) Show SMILES COc1nc2ccc(cc2c(Cl)c1CCC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F |r| Show InChI InChI=1S/C24H19ClF6N4O2/c1-35-12-32-11-19(35)23(36,14-6-8-33-18(10-14)24(29,30)31)13-3-4-17-16(9-13)20(25)15(21(34-17)37-2)5-7-22(26,27)28/h3-4,6,8-12,36H,5,7H2,1-2H3/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339259 (US10201546, Example 129c) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cnnn1C)c1ccnc(c1)C(F)(F)F |r| 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/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					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))	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))	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))	BDBM50451754 (CHEMBL4217859) Show SMILES Cc1cc(ccn1)C(O)(c1cncn1C)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C26H20Cl2N4O/c1-16-12-19(10-11-30-16)26(33,22-14-29-15-32(22)2)18-8-9-21-20(13-18)24(27)23(25(28)31-21)17-6-4-3-5-7-17/h3-15,33H,1-2H3	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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50451750 (CHEMBL4204175) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cnnn1C)c1cnc(C)n1C Show InChI InChI=1S/C29H27ClN8O2/c1-18-31-16-25(36(18)2)29(39,26-17-32-35-37(26)3)20-8-11-24-22(15-20)27(30)23(28(34-24)40-4)14-19-6-9-21(10-7-19)38-13-5-12-33-38/h5-13,15-17,39H,14H2,1-4H3	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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50451750 (CHEMBL4204175) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cnnn1C)c1cnc(C)n1C Show InChI InChI=1S/C29H27ClN8O2/c1-18-31-16-25(36(18)2)29(39,26-17-32-35-37(26)3)20-8-11-24-22(15-20)27(30)23(28(34-24)40-4)14-19-6-9-21(10-7-19)38-13-5-12-33-38/h5-13,15-17,39H,14H2,1-4H3	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
Janssen Research and Development, LLC Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused wild type human RORgammat LBD (850 to 1635 residues) expressed in HEK293T cells assessed as inhibition of ...				Bioorg Med Chem Lett 27: 5277-5283 (2017) Article DOI: 10.1016/j.bmcl.2017.10.027 BindingDB Entry DOI: 10.7270/Q2V98BN5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339363 (US10201546, Example 213c) Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F |r| Show InChI InChI=1S/C23H17ClF6N4O3/c1-34-11-31-9-17(34)22(35,13-5-6-32-16(8-13)23(28,29)30)12-3-4-15-14(7-12)18(24)19(20(33-15)36-2)37-10-21(25,26)27/h3-9,11,35H,10H2,1-2H3/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					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 US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339278 (US10201546, Example 136c) Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCCC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C |r| 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/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339165 (US10201546, Example 82c) Show SMILES CC(C)Oc1c(Cl)c2cc(ccc2nc1N1CCC1)[C@@](O)(c1cnnn1C)c1sc(C)nc1C |r| Show InChI InChI=1S/C24H27ClN6O2S/c1-13(2)33-21-20(25)17-11-16(7-8-18(17)28-23(21)31-9-6-10-31)24(32,19-12-26-29-30(19)5)22-14(3)27-15(4)34-22/h7-8,11-13,32H,6,9-10H2,1-5H3/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					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))	BDBM339377 (US10201546, Example 220) Show SMILES COc1nc2c(C)cc(cc2c(Cl)c1OCC(F)(F)F)C(O)(c1cnc(C)n1C)c1c(C)nn(C)c1C Show InChI InChI=1S/C25H27ClF3N5O3/c1-12-8-16(9-17-20(26)22(37-11-24(27,28)29)23(36-7)31-21(12)17)25(35,18-10-30-15(4)33(18)5)19-13(2)32-34(6)14(19)3/h8-10,35H,11H2,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518,Y502F] (Artificial Sequence)	BDBM231231 (US9346782, 11a | US9346782, 11b | US9346782, 11c) Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1cnnn1C Show InChI InChI=1S/C23H20ClF3N4O2/c1-22(32,19-12-28-30-31(19)2)15-8-9-18-16(11-15)20(24)17(21(29-18)33-3)10-13-4-6-14(7-5-13)23(25,26)27/h4-9,11-12,32H,10H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...				US Patent US9346782 (2016) BindingDB Entry DOI: 10.7270/Q2DB80PS
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339270 (US10201546, Example 134a) Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)C(O)(c1cnnn1C)c1cnc(C)n1C Show InChI InChI=1S/C23H27ClN6O2/c1-13(2)9-17-21(24)16-10-15(7-8-18(16)27-22(17)32-6)23(31,20-12-26-28-30(20)5)19-11-25-14(3)29(19)4/h7-8,10-13,31H,9H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339389 (US10201546, Example 227c) Show SMILES CCc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F |r| Show InChI InChI=1S/C24H19ClF6N4O/c1-3-17-16(10-22(26,27)28)21(25)15-8-13(4-5-18(15)34-17)23(36,20-11-32-12-35(20)2)14-6-7-33-19(9-14)24(29,30)31/h4-9,11-12,36H,3,10H2,1-2H3/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518,Y502F] (Homo sapiens (Human))	BDBM221234 (US9303015, 8) Show SMILES CCN(CC)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncs1)c1cncn1C Show InChI InChI=1S/C27H26ClN5O2S/c1-4-33(5-2)26-25(35-19-9-7-6-8-10-19)24(28)20-13-18(11-12-21(20)31-26)27(34,23-15-30-17-36-23)22-14-29-16-32(22)3/h6-17,34H,4-5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...				US Patent US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339214 (US10201546, Example 106b) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cnnn1C)c1cnc(C)n1C |r| 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/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339215 (US10201546, Example 106c) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cnnn1C)c1cnc(C)n1C |r| 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/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					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))	BDBM339214 (US10201546, Example 106b) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cnnn1C)c1cnc(C)n1C |r| 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/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [258-518,Y502F] (Homo sapiens (Human))	BDBM221257 (US9303015, 31a | US9303015, 31b | US9303015, 31c) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1 Show InChI InChI=1S/C30H22ClF3N6O2/c1-39-17-36-16-25(39)29(41,20-6-10-24(37-15-20)30(32,33)34)19-5-9-23-22(13-19)26(31)27(28(38-23)40-11-2-12-40)42-21-7-3-18(14-35)4-8-21/h3-10,13,15-17,41H,2,11-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The reporter assay was performed by transiently transfecting HEK293T cells with 5 μg of pBIND-RORγt LBD or pBIND-RORγt LBD-AF2 and 5 &...				US Patent US9303015 (2016) BindingDB Entry DOI: 10.7270/Q29P30H5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339346 (US10201546, Example 206a | US10201546, Example 206...) Show SMILES COc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C Show InChI InChI=1S/C22H20F3N7O2/c1-12-27-10-18(31(12)2)22(33,19-11-28-30-32(19)3)13-5-6-17-14(7-13)16(9-26)15(8-21(23,24)25)20(29-17)34-4/h5-7,10-11,33H,8H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM339222 (US10201546, Example 109c) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CC(F)(F)C1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C |r| Show InChI InChI=1S/C25H25ClF2N6O2/c1-14-5-7-19(15(2)30-14)25(35,21-10-29-32-33(21)3)16-6-8-20-17(9-16)22(26)18(23(31-20)36-4)11-34-12-24(27,28)13-34/h5-10,35H,11-13H2,1-4H3/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor® assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					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

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