Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'kaupmann' and Initial = 'k'   

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
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM86283 (CAS_345-78-8 | CAS_39069-52-8 | GS 39783 | N,N'...) Show SMILES CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O Show InChI InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 322-30 (2003) Article DOI: 10.1124/jpet.103.053074 BindingDB Entry DOI: 10.7270/Q2542M50
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM86283 (CAS_345-78-8 | CAS_39069-52-8 | GS 39783 | N,N'...) Show SMILES CSc1nc(NC2CCCC2)c(c(NC2CCCC2)n1)[N+]([O-])=O Show InChI InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	32.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by PDSP Ki Database									J Pharmacol Exp Ther 307: 322-30 (2003) Article DOI: 10.1124/jpet.103.053074 BindingDB Entry DOI: 10.7270/Q2542M50
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50281849 (CHEMBL4175305) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(O[C@@H](C)c3ccccc3)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C23H23ClN2O4S/c1-3-31(28,29)20-11-9-17(10-12-20)13-22(27)26-19-14-21(24)23(25-15-19)30-16(2)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,26,27)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inverse agonist activity at human His6-tagged RORgammat LBD (264 to 518 residues) assessed as reduction in biotinylated RIP140 co-activator recruitme...				J Med Chem 61: 6724-6735 (2018) Article DOI: 10.1021/acs.jmedchem.8b00529 BindingDB Entry DOI: 10.7270/Q2Z60RK3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337263 (3-(2-chlorobenzyloxy)-2-(2-fluorophenyl)-2H-pyrazo...) Show SMILES Fc1ccccc1-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c24-18-9-3-1-7-15(18)14-29-23-17-13-26-20-11-5-2-8-16(20)22(17)27-28(23)21-12-6-4-10-19(21)25/h1-13H,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM84957 (CGS 9896 | CHEMBL20042) Show SMILES Clc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506051 (CHEMBL4587988) Show SMILES Cc1c(nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(N2CC(C2)C(N)=O)c1Cl)C(F)(F)F |(37.14,-25.15,;36.82,-26.66,;37.85,-27.8,;37.08,-29.13,;35.57,-28.81,;34.43,-29.85,;34.6,-31.38,;33.19,-32.01,;32.16,-30.87,;30.63,-31.04,;32.92,-29.54,;35.4,-27.28,;34.07,-26.51,;34.08,-24.97,;35.42,-24.21,;32.75,-24.2,;31.41,-24.97,;31.42,-26.52,;30.09,-27.29,;28.6,-26.9,;28.21,-28.39,;29.7,-28.78,;26.88,-29.16,;25.54,-28.4,;26.88,-30.7,;32.75,-27.28,;31.41,-28.04,;39.39,-27.8,;40.16,-29.13,;40.15,-26.46,;40.93,-27.8,)| Show InChI InChI=1S/C19H14Cl3F3N4O2/c1-8-16(19(23,24)25)27-18(12-4-5-13(21)31-12)29(8)15-10(20)2-3-11(14(15)22)28-6-9(7-28)17(26)30/h2-5,9H,6-7H2,1H3,(H2,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Displacement of RIP140 cofactor peptide from human His6-tagged RORgammat LBD (264 to 518 residues) by TR-FRET assay				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50337263 (3-(2-chlorobenzyloxy)-2-(2-fluorophenyl)-2H-pyrazo...) Show SMILES Fc1ccccc1-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c24-18-9-3-1-7-15(18)14-29-23-17-13-26-20-11-5-2-8-16(20)22(17)27-28(23)21-12-6-4-10-19(21)25/h1-13H,14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50281897 (CHEMBL4171857) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(OCc3ccccc3)c(Cl)c2)cc1 Show InChI InChI=1S/C22H21ClN2O4S/c1-2-30(27,28)19-10-8-16(9-11-19)12-21(26)25-18-13-20(23)22(24-14-18)29-15-17-6-4-3-5-7-17/h3-11,13-14H,2,12,15H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inverse agonist activity at human His6-tagged RORgammat LBD (264 to 518 residues) assessed as reduction in biotinylated RIP140 co-activator recruitme...				J Med Chem 61: 6724-6735 (2018) Article DOI: 10.1021/acs.jmedchem.8b00529 BindingDB Entry DOI: 10.7270/Q2Z60RK3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506053 (CHEMBL4562740) Show SMILES Cc1c(nc(-c2ccc(Cl)o2)n1-c1c(Cl)cccc1Cl)C(F)(F)F |(14.42,-15.48,;14.1,-16.99,;15.13,-18.13,;14.36,-19.47,;12.86,-19.15,;11.71,-20.19,;11.88,-21.72,;10.47,-22.35,;9.44,-21.21,;7.91,-21.37,;10.21,-19.87,;12.69,-17.62,;11.35,-16.85,;11.36,-15.3,;12.7,-14.54,;10.03,-14.53,;8.69,-15.31,;8.7,-16.85,;10.03,-17.62,;8.69,-18.37,;16.67,-18.13,;17.44,-19.46,;17.44,-16.79,;18.21,-18.13,)| Show InChI InChI=1S/C15H8Cl3F3N2O/c1-7-13(15(19,20)21)22-14(10-5-6-11(18)24-10)23(7)12-8(16)3-2-4-9(12)17/h2-6H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Displacement of RIP140 cofactor peptide from human His6-tagged RORgammat LBD (264 to 518 residues) by TR-FRET assay				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506050 (CHEMBL4580481) Show SMILES CC(C)Cc1nc(-c2ccco2)n(c1C)-c1c(Cl)cccc1Cl |(52.04,-6.79,;50.5,-6.79,;49.74,-8.13,;49.73,-5.46,;48.19,-5.46,;47.42,-6.8,;45.92,-6.48,;44.78,-7.52,;44.94,-9.05,;43.54,-9.68,;42.5,-8.54,;43.27,-7.2,;45.75,-4.95,;47.16,-4.32,;47.49,-2.81,;44.42,-4.18,;44.42,-2.63,;45.76,-1.87,;43.09,-1.86,;41.76,-2.63,;41.76,-4.18,;43.1,-4.95,;41.75,-5.7,)| Show InChI InChI=1S/C18H18Cl2N2O/c1-11(2)10-15-12(3)22(17-13(19)6-4-7-14(17)20)18(21-15)16-8-5-9-23-16/h4-9,11H,10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Displacement of RIP140 cofactor peptide from human His6-tagged RORgammat LBD (264 to 518 residues) by TR-FRET assay				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM84957 (CGS 9896 | CHEMBL20042) Show SMILES Clc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506052 (CHEMBL4446191) Show SMILES CC(C)Cc1nc(-c2ccc(Cl)o2)n(c1C)-c1c(Cl)ccc(N2CC(C2)C(O)=O)c1Cl |(67.2,-18.88,;67.96,-17.55,;69.5,-17.55,;67.19,-16.22,;65.66,-16.22,;64.89,-17.55,;63.38,-17.23,;62.24,-18.27,;62.4,-19.8,;61,-20.43,;59.96,-19.29,;58.43,-19.46,;60.73,-17.96,;63.21,-15.7,;64.63,-15.08,;64.95,-13.57,;61.88,-14.93,;61.89,-13.39,;63.22,-12.63,;60.55,-12.62,;59.22,-13.39,;59.22,-14.94,;57.89,-15.71,;56.41,-15.32,;56.01,-16.81,;57.5,-17.2,;54.68,-17.58,;53.35,-16.82,;54.69,-19.12,;60.56,-15.7,;59.21,-16.46,)| Show InChI InChI=1S/C22H22Cl3N3O3/c1-11(2)8-15-12(3)28(21(26-15)17-6-7-18(24)31-17)20-14(23)4-5-16(19(20)25)27-9-13(10-27)22(29)30/h4-7,11,13H,8-10H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Displacement of RIP140 cofactor peptide from human His6-tagged RORgammat LBD (264 to 518 residues) by TR-FRET assay				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506049 (CHEMBL4466072) Show SMILES Cc1c(nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(NCC(C)(C)C(O)=O)c1Cl)C1(CC1)C(F)(F)F |(39.4,-36.32,;39.08,-37.83,;40.11,-38.98,;39.34,-40.31,;37.83,-39.99,;36.69,-41.03,;36.85,-42.56,;35.45,-43.19,;34.42,-42.05,;32.89,-42.21,;35.18,-40.71,;37.67,-38.46,;36.33,-37.69,;36.34,-36.15,;37.68,-35.38,;35.01,-35.37,;33.67,-36.15,;33.68,-37.7,;32.34,-38.47,;31.01,-37.7,;29.67,-38.48,;29.68,-40.02,;28.34,-39.24,;28.34,-37.71,;27.01,-38.48,;28.34,-36.17,;35.01,-38.45,;33.66,-39.21,;41.64,-38.97,;41.64,-37.43,;42.97,-38.19,;42.42,-40.31,;43.96,-40.3,;41.65,-41.64,;43.18,-41.64,)| Show InChI InChI=1S/C23H21Cl3F3N3O3/c1-11-18(22(8-9-22)23(27,28)29)31-19(14-6-7-15(25)35-14)32(11)17-12(24)4-5-13(16(17)26)30-10-21(2,3)20(33)34/h4-7,30H,8-10H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Displacement of RIP140 cofactor peptide from human His6-tagged RORgammat LBD (264 to 518 residues) by TR-FRET assay				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506056 (CHEMBL4554462) Show SMILES Cc1c(Cc2ccccc2)nc(-c2ccco2)n1-c1c(Cl)cccc1Cl |(60.91,-1.41,;60.59,-2.91,;61.62,-4.06,;63.16,-4.06,;63.93,-5.39,;63.16,-6.72,;63.92,-8.05,;65.47,-8.04,;66.24,-6.71,;65.46,-5.38,;60.85,-5.39,;59.34,-5.07,;58.21,-6.11,;58.37,-7.64,;56.96,-8.27,;55.93,-7.13,;56.7,-5.79,;59.17,-3.54,;57.84,-2.77,;57.85,-1.23,;59.19,-.46,;56.51,-.45,;55.19,-1.23,;55.19,-2.78,;56.52,-3.54,;55.18,-4.3,)| Show InChI InChI=1S/C21H16Cl2N2O/c1-14-18(13-15-7-3-2-4-8-15)24-21(19-11-6-12-26-19)25(14)20-16(22)9-5-10-17(20)23/h2-12H,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Displacement of RIP140 cofactor peptide from human His6-tagged RORgammat LBD (264 to 518 residues) by TR-FRET assay				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506048 (CHEMBL4513808) Show SMILES Cc1c(nc(C2CC2)n1-c1c(Cl)ccc(N2CC3(CC(C3)C(O)=O)C2)c1Cl)C1(CC1)C(F)(F)F |(63.47,-36.06,;63.15,-37.56,;64.18,-38.71,;63.41,-40.04,;61.9,-39.72,;60.76,-40.76,;59.26,-41.08,;60.29,-42.22,;61.73,-38.19,;60.4,-37.42,;60.41,-35.88,;61.75,-35.11,;59.08,-35.11,;57.74,-35.88,;57.75,-37.43,;56.41,-38.2,;54.93,-37.8,;54.54,-39.29,;53.04,-38.89,;52.64,-40.38,;54.13,-40.78,;51.3,-41.15,;49.97,-40.37,;51.3,-42.69,;56.03,-39.69,;59.08,-38.19,;57.73,-38.94,;65.71,-38.7,;65.71,-37.16,;67.04,-37.93,;66.49,-40.03,;68.03,-40.03,;65.72,-41.37,;67.25,-41.36,)| Show InChI InChI=1S/C24H24Cl2F3N3O2/c1-12-19(23(6-7-23)24(27,28)29)30-20(13-2-3-13)32(12)18-15(25)4-5-16(17(18)26)31-10-22(11-31)8-14(9-22)21(33)34/h4-5,13-14H,2-3,6-11H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Displacement of RIP140 cofactor peptide from human His6-tagged RORgammat LBD (264 to 518 residues) by TR-FRET assay				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506057 (CHEMBL4444848) Show SMILES Cc1c(nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(N2CC(CC(O)=O)C2)c1Cl)C(F)(F)F |(18.43,-36.34,;18.11,-37.85,;19.14,-38.99,;18.37,-40.33,;16.86,-40.01,;15.72,-41.05,;15.88,-42.58,;14.48,-43.21,;13.45,-42.07,;11.91,-42.23,;14.21,-40.73,;16.69,-38.48,;15.36,-37.71,;15.37,-36.16,;16.7,-35.4,;14.04,-35.39,;12.7,-36.16,;12.7,-37.71,;11.37,-38.49,;9.89,-38.09,;9.5,-39.58,;8.16,-40.36,;6.83,-39.59,;6.82,-38.05,;5.5,-40.36,;10.98,-39.97,;14.04,-38.48,;12.69,-39.23,;20.67,-38.99,;21.45,-40.32,;21.44,-37.65,;22.21,-38.99,)| Show InChI InChI=1S/C20H15Cl3F3N3O3/c1-9-18(20(24,25)26)27-19(13-4-5-14(22)32-13)29(9)17-11(21)2-3-12(16(17)23)28-7-10(8-28)6-15(30)31/h2-5,10H,6-8H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Displacement of RIP140 cofactor peptide from human His6-tagged RORgammat LBD (264 to 518 residues) by TR-FRET assay				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50524338 (CHEMBL4468000) Show SMILES NCc1cccc(c1)-c1cccc(COc2ccccc2CC(O)=O)c1 Show InChI InChI=1S/C22H21NO3/c23-14-16-5-3-8-18(11-16)19-9-4-6-17(12-19)15-26-21-10-2-1-7-20(21)13-22(24)25/h1-12H,13-15,23H2,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
TBA					Assay Description Inhibition of recombinant human CFD expressed in Escherichia coli incubated up to 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01020 BindingDB Entry DOI: 10.7270/Q20K2D8S
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50281849 (CHEMBL4175305) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(O[C@@H](C)c3ccccc3)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C23H23ClN2O4S/c1-3-31(28,29)20-11-9-17(10-12-20)13-22(27)26-19-14-21(24)23(25-15-19)30-16(2)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,26,27)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inverse agonist activity at human full-length eGFP-tagged RORgammat expressed in human HUT78 T-cells assessed as inhibition of PMA/CD3 monoclonal ant...				J Med Chem 61: 6724-6735 (2018) Article DOI: 10.1021/acs.jmedchem.8b00529 BindingDB Entry DOI: 10.7270/Q2Z60RK3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506050 (CHEMBL4580481) Show SMILES CC(C)Cc1nc(-c2ccco2)n(c1C)-c1c(Cl)cccc1Cl |(52.04,-6.79,;50.5,-6.79,;49.74,-8.13,;49.73,-5.46,;48.19,-5.46,;47.42,-6.8,;45.92,-6.48,;44.78,-7.52,;44.94,-9.05,;43.54,-9.68,;42.5,-8.54,;43.27,-7.2,;45.75,-4.95,;47.16,-4.32,;47.49,-2.81,;44.42,-4.18,;44.42,-2.63,;45.76,-1.87,;43.09,-1.86,;41.76,-2.63,;41.76,-4.18,;43.1,-4.95,;41.75,-5.7,)| Show InChI InChI=1S/C18H18Cl2N2O/c1-11(2)10-15-12(3)22(17-13(19)6-4-7-14(17)20)18(21-15)16-8-5-9-23-16/h4-9,11H,10H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Inhibition of human full-length eGFP-tagged RORgammat expressed in human HUT78 T-cells assessed as inhibition of PMA/CD3 monoclonal antibody stimulat...				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50281849 (CHEMBL4175305) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(O[C@@H](C)c3ccccc3)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C23H23ClN2O4S/c1-3-31(28,29)20-11-9-17(10-12-20)13-22(27)26-19-14-21(24)23(25-15-19)30-16(2)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,26,27)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inverse agonist activity at human GAL4-DBD fused RORgammat LBD expressed in human Jurkat cells after 24 hrs by luciferase reporter gene assay				J Med Chem 61: 6724-6735 (2018) Article DOI: 10.1021/acs.jmedchem.8b00529 BindingDB Entry DOI: 10.7270/Q2Z60RK3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50281985 (CHEMBL4163551) Show SMILES C[C@H](Oc1ncc(NC(=O)Cc2ccncc2)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C20H18ClN3O2/c1-14(16-5-3-2-4-6-16)26-20-18(21)12-17(13-23-20)24-19(25)11-15-7-9-22-10-8-15/h2-10,12-14H,11H2,1H3,(H,24,25)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inverse agonist activity at human His6-tagged RORgammat LBD (264 to 518 residues) assessed as reduction in biotinylated RIP140 co-activator recruitme...				J Med Chem 61: 6724-6735 (2018) Article DOI: 10.1021/acs.jmedchem.8b00529 BindingDB Entry DOI: 10.7270/Q2Z60RK3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506049 (CHEMBL4466072) Show SMILES Cc1c(nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(NCC(C)(C)C(O)=O)c1Cl)C1(CC1)C(F)(F)F |(39.4,-36.32,;39.08,-37.83,;40.11,-38.98,;39.34,-40.31,;37.83,-39.99,;36.69,-41.03,;36.85,-42.56,;35.45,-43.19,;34.42,-42.05,;32.89,-42.21,;35.18,-40.71,;37.67,-38.46,;36.33,-37.69,;36.34,-36.15,;37.68,-35.38,;35.01,-35.37,;33.67,-36.15,;33.68,-37.7,;32.34,-38.47,;31.01,-37.7,;29.67,-38.48,;29.68,-40.02,;28.34,-39.24,;28.34,-37.71,;27.01,-38.48,;28.34,-36.17,;35.01,-38.45,;33.66,-39.21,;41.64,-38.97,;41.64,-37.43,;42.97,-38.19,;42.42,-40.31,;43.96,-40.3,;41.65,-41.64,;43.18,-41.64,)| Show InChI InChI=1S/C23H21Cl3F3N3O3/c1-11-18(22(8-9-22)23(27,28)29)31-19(14-6-7-15(25)35-14)32(11)17-12(24)4-5-13(16(17)26)30-10-21(2,3)20(33)34/h4-7,30H,8-10H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Inhibition of human full-length eGFP-tagged RORgammat expressed in human HUT78 T-cells assessed as inhibition of PMA/CD3 monoclonal antibody stimulat...				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506047 (CHEMBL4551475) Show SMILES Cc1c(nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(N2CC(C2)c2nnn[nH]2)c1Cl)C(F)(F)F |(61.88,-24.53,;61.56,-26.04,;62.59,-27.18,;61.82,-28.51,;60.31,-28.19,;59.17,-29.23,;59.34,-30.76,;57.93,-31.39,;56.9,-30.25,;55.37,-30.42,;57.66,-28.92,;60.14,-26.66,;58.81,-25.89,;58.82,-24.35,;60.16,-23.59,;57.49,-23.58,;56.15,-24.35,;56.16,-25.9,;54.83,-26.67,;53.34,-26.28,;52.95,-27.77,;54.44,-28.16,;51.62,-28.54,;51.14,-30.01,;49.6,-30.01,;49.13,-28.54,;50.37,-27.63,;57.49,-26.66,;56.15,-27.42,;64.13,-27.18,;64.9,-28.51,;64.89,-25.84,;65.67,-27.18,)| Show InChI InChI=1S/C19H13Cl3F3N7O/c1-8-16(19(23,24)25)26-18(12-4-5-13(21)33-12)32(8)15-10(20)2-3-11(14(15)22)31-6-9(7-31)17-27-29-30-28-17/h2-5,9H,6-7H2,1H3,(H,27,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Displacement of RIP140 cofactor peptide from human His6-tagged RORgammat LBD (264 to 518 residues) by TR-FRET assay				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506046 (CHEMBL4549748) Show SMILES Cc1c(nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(N2CC(C2)C(O)=O)c1Cl)C(F)(F)F |(18.17,-25.5,;17.85,-27.01,;18.88,-28.15,;18.11,-29.48,;16.6,-29.16,;15.46,-30.2,;15.63,-31.73,;14.22,-32.36,;13.19,-31.22,;11.66,-31.39,;13.95,-29.89,;16.43,-27.63,;15.1,-26.86,;15.11,-25.32,;16.45,-24.56,;13.78,-24.55,;12.44,-25.32,;12.45,-26.87,;11.12,-27.65,;9.63,-27.25,;9.24,-28.74,;10.73,-29.13,;7.91,-29.51,;6.57,-28.75,;7.91,-31.05,;13.78,-27.63,;12.44,-28.39,;20.42,-28.15,;21.19,-29.48,;21.18,-26.81,;21.96,-28.15,)| Show InChI InChI=1S/C19H13Cl3F3N3O3/c1-8-16(19(23,24)25)26-17(12-4-5-13(21)31-12)28(8)15-10(20)2-3-11(14(15)22)27-6-9(7-27)18(29)30/h2-5,9H,6-7H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Displacement of RIP140 cofactor peptide from human His6-tagged RORgammat LBD (264 to 518 residues) by TR-FRET assay				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506051 (CHEMBL4587988) Show SMILES Cc1c(nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(N2CC(C2)C(N)=O)c1Cl)C(F)(F)F |(37.14,-25.15,;36.82,-26.66,;37.85,-27.8,;37.08,-29.13,;35.57,-28.81,;34.43,-29.85,;34.6,-31.38,;33.19,-32.01,;32.16,-30.87,;30.63,-31.04,;32.92,-29.54,;35.4,-27.28,;34.07,-26.51,;34.08,-24.97,;35.42,-24.21,;32.75,-24.2,;31.41,-24.97,;31.42,-26.52,;30.09,-27.29,;28.6,-26.9,;28.21,-28.39,;29.7,-28.78,;26.88,-29.16,;25.54,-28.4,;26.88,-30.7,;32.75,-27.28,;31.41,-28.04,;39.39,-27.8,;40.16,-29.13,;40.15,-26.46,;40.93,-27.8,)| Show InChI InChI=1S/C19H14Cl3F3N4O2/c1-8-16(19(23,24)25)27-18(12-4-5-13(21)31-12)29(8)15-10(20)2-3-11(14(15)22)28-6-9(7-28)17(26)30/h2-5,9H,6-7H2,1H3,(H2,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Inhibition of human full-length eGFP-tagged RORgammat expressed in human HUT78 T-cells assessed as inhibition of PMA/CD3 monoclonal antibody stimulat...				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50281849 (CHEMBL4175305) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(O[C@@H](C)c3ccccc3)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C23H23ClN2O4S/c1-3-31(28,29)20-11-9-17(10-12-20)13-22(27)26-19-14-21(24)23(25-15-19)30-16(2)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,26,27)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human PBMC-derived CD4-positive Th-17 polarized cells assessed as reduction in IL4/anti-IFN-gamma antibody-s...				J Med Chem 61: 6724-6735 (2018) Article DOI: 10.1021/acs.jmedchem.8b00529 BindingDB Entry DOI: 10.7270/Q2Z60RK3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Succinate receptor 1 (Homo sapiens (Human))	BDBM50561194 (CHEMBL4790324) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cccc(c2)C(=O)Nc2ccccc2CC(O)=O)CC1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human SUCNR1 expressed in human CHEM1 cells incubated for 60 mins in presence of [35S]GTPgammaS by scintillation proximity ass...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01020 BindingDB Entry DOI: 10.7270/Q20K2D8S
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50281898 (CHEMBL4164670) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(O[C@H](C)c3ccccc3)c(Cl)c2)cc1 |r| Show InChI InChI=1S/C23H23ClN2O4S/c1-3-31(28,29)20-11-9-17(10-12-20)13-22(27)26-19-14-21(24)23(25-15-19)30-16(2)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,26,27)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inverse agonist activity at human His6-tagged RORgammat LBD (264 to 518 residues) assessed as reduction in biotinylated RIP140 co-activator recruitme...				J Med Chem 61: 6724-6735 (2018) Article DOI: 10.1021/acs.jmedchem.8b00529 BindingDB Entry DOI: 10.7270/Q2Z60RK3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506054 (CHEMBL4440185) Show SMILES CC(C)OC(=O)[C@H](C)N(C(=O)c1ccco1)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C17H17Cl2NO4/c1-10(2)24-17(22)11(3)20(16(21)14-8-5-9-23-14)15-12(18)6-4-7-13(15)19/h4-11H,1-3H3/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Displacement of RIP140 cofactor peptide from human His6-tagged RORgammat LBD (264 to 518 residues) by TR-FRET assay				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506052 (CHEMBL4446191) Show SMILES CC(C)Cc1nc(-c2ccc(Cl)o2)n(c1C)-c1c(Cl)ccc(N2CC(C2)C(O)=O)c1Cl |(67.2,-18.88,;67.96,-17.55,;69.5,-17.55,;67.19,-16.22,;65.66,-16.22,;64.89,-17.55,;63.38,-17.23,;62.24,-18.27,;62.4,-19.8,;61,-20.43,;59.96,-19.29,;58.43,-19.46,;60.73,-17.96,;63.21,-15.7,;64.63,-15.08,;64.95,-13.57,;61.88,-14.93,;61.89,-13.39,;63.22,-12.63,;60.55,-12.62,;59.22,-13.39,;59.22,-14.94,;57.89,-15.71,;56.41,-15.32,;56.01,-16.81,;57.5,-17.2,;54.68,-17.58,;53.35,-16.82,;54.69,-19.12,;60.56,-15.7,;59.21,-16.46,)| Show InChI InChI=1S/C22H22Cl3N3O3/c1-11(2)8-15-12(3)28(21(26-15)17-6-7-18(24)31-17)20-14(23)4-5-16(19(20)25)27-9-13(10-27)22(29)30/h4-7,11,13H,8-10H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Inhibition of human full-length eGFP-tagged RORgammat expressed in human HUT78 T-cells assessed as inhibition of PMA/CD3 monoclonal antibody stimulat...				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337265 (3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-6,7,8,9-t...) Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1OCc1ccccc1Cl Show InChI InChI=1S/C23H19Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337264 (2-(benzo[d][1,3]dioxol-5-yl)-3-(2-chlorobenzyloxy)...) Show SMILES Clc1ccccc1COc1n(nc2c1cnc1ccccc21)-c1ccc2OCOc2c1 Show InChI InChI=1S/C24H16ClN3O3/c25-19-7-3-1-5-15(19)13-29-24-18-12-26-20-8-4-2-6-17(20)23(18)27-28(24)16-9-10-21-22(11-16)31-14-30-21/h1-12H,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337271 (2-(4-chlorophenyl)-3-(4-fluorobenzyloxy)-6,7,8,9-t...) Show SMILES Fc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19ClFN3O/c24-16-7-11-18(12-8-16)28-23(29-14-15-5-9-17(25)10-6-15)20-13-26-21-4-2-1-3-19(21)22(20)27-28/h5-13H,1-4,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50337271 (2-(4-chlorophenyl)-3-(4-fluorobenzyloxy)-6,7,8,9-t...) Show SMILES Fc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19ClFN3O/c24-16-7-11-18(12-8-16)28-23(29-14-15-5-9-17(25)10-6-15)20-13-26-21-4-2-1-3-19(21)22(20)27-28/h5-13H,1-4,14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-2 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337270 (2-(4-chlorophenyl)-3-(2-fluorobenzyloxy)-6,7,8,9-t...) Show SMILES Fc1ccccc1COc1n(nc2c3CCCCc3ncc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClFN3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337274 (3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-2H-pyrazo...) Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H15Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1-13H,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337268 (3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-8,8-dimet...) Show SMILES CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(nc3c2C1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H23Cl2N3O/c1-25(2)12-11-22-19(13-25)23-20(14-28-22)24(31-15-16-5-3-4-6-21(16)27)30(29-23)18-9-7-17(26)8-10-18/h3-10,14H,11-13,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506048 (CHEMBL4513808) Show SMILES Cc1c(nc(C2CC2)n1-c1c(Cl)ccc(N2CC3(CC(C3)C(O)=O)C2)c1Cl)C1(CC1)C(F)(F)F |(63.47,-36.06,;63.15,-37.56,;64.18,-38.71,;63.41,-40.04,;61.9,-39.72,;60.76,-40.76,;59.26,-41.08,;60.29,-42.22,;61.73,-38.19,;60.4,-37.42,;60.41,-35.88,;61.75,-35.11,;59.08,-35.11,;57.74,-35.88,;57.75,-37.43,;56.41,-38.2,;54.93,-37.8,;54.54,-39.29,;53.04,-38.89,;52.64,-40.38,;54.13,-40.78,;51.3,-41.15,;49.97,-40.37,;51.3,-42.69,;56.03,-39.69,;59.08,-38.19,;57.73,-38.94,;65.71,-38.7,;65.71,-37.16,;67.04,-37.93,;66.49,-40.03,;68.03,-40.03,;65.72,-41.37,;67.25,-41.36,)| Show InChI InChI=1S/C24H24Cl2F3N3O2/c1-12-19(23(6-7-23)24(27,28)29)30-20(13-2-3-13)32(12)18-15(25)4-5-16(17(18)26)31-10-22(11-31)8-14(9-22)21(33)34/h4-5,13-14H,2-3,6-11H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Inhibition of human full-length eGFP-tagged RORgammat expressed in human HUT78 T-cells assessed as inhibition of PMA/CD3 monoclonal antibody stimulat...				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337272 (2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-2H-pyraz...) Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCC1CC1 Show InChI InChI=1S/C20H16ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h1-4,7-11,13H,5-6,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Succinate receptor 1 (Homo sapiens (Human))	BDBM50561202 (CHEMBL4763307) Show SMILES OC(=O)Cc1ccccc1NC(=O)c1cccc(c1)-c1ccc(Cl)c(O[C@@H]2CCCNC2)c1F |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human SUCNR1 expressed in human CHEM1 cells incubated for 60 mins in presence of [35S]GTPgammaS by scintillation proximity ass...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01020 BindingDB Entry DOI: 10.7270/Q20K2D8S
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506056 (CHEMBL4554462) Show SMILES Cc1c(Cc2ccccc2)nc(-c2ccco2)n1-c1c(Cl)cccc1Cl |(60.91,-1.41,;60.59,-2.91,;61.62,-4.06,;63.16,-4.06,;63.93,-5.39,;63.16,-6.72,;63.92,-8.05,;65.47,-8.04,;66.24,-6.71,;65.46,-5.38,;60.85,-5.39,;59.34,-5.07,;58.21,-6.11,;58.37,-7.64,;56.96,-8.27,;55.93,-7.13,;56.7,-5.79,;59.17,-3.54,;57.84,-2.77,;57.85,-1.23,;59.19,-.46,;56.51,-.45,;55.19,-1.23,;55.19,-2.78,;56.52,-3.54,;55.18,-4.3,)| Show InChI InChI=1S/C21H16Cl2N2O/c1-14-18(13-15-7-3-2-4-8-15)24-21(19-11-6-12-26-19)25(14)20-16(22)9-5-10-17(20)23/h2-12H,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Inhibition of human full-length eGFP-tagged RORgammat expressed in human HUT78 T-cells assessed as inhibition of PMA/CD3 monoclonal antibody stimulat...				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Succinate receptor 1 (Homo sapiens (Human))	BDBM50561205 (CHEMBL4751488) Show SMILES OC(=O)Cc1cc(F)ccc1NC(=O)c1cccc(c1F)-c1cc(O[C@@H]2CCCNC2)c(Cl)cc1F |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human SUCNR1 expressed in human CHEM1 cells incubated for 60 mins in presence of [35S]GTPgammaS by scintillation proximity ass...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01020 BindingDB Entry DOI: 10.7270/Q20K2D8S
					More data for this Ligand-Target Pair
Succinate receptor 1 (Homo sapiens (Human))	BDBM50561204 (CHEMBL4757124) Show SMILES OC(=O)Cc1cc(F)ccc1NC(=O)c1cccc(c1)-c1cc(O[C@@H]2CCCNC2)c(Cl)cc1F |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human SUCNR1 expressed in human CHEM1 cells incubated for 60 mins in presence of [35S]GTPgammaS by scintillation proximity ass...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01020 BindingDB Entry DOI: 10.7270/Q20K2D8S
					More data for this Ligand-Target Pair
Succinate receptor 1 (Homo sapiens (Human))	BDBM50561203 (CHEMBL4752851) Show SMILES OC(=O)Cc1cc(F)ccc1NC(=O)c1cccc(c1)-c1ccc(Cl)c(O[C@@H]2CCCNC2)c1F |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human SUCNR1 expressed in human CHEM1 cells incubated for 60 mins in presence of [35S]GTPgammaS by scintillation proximity ass...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01020 BindingDB Entry DOI: 10.7270/Q20K2D8S
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50337275 (2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-...) Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1OCC1CC1 Show InChI InChI=1S/C20H20ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h7-11,13H,1-6,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506055 (CHEMBL4582076) Show SMILES CC(C)Cc1cn(c(n1)-c1cnco1)-c1c(cccc1C#N)C#N |(32.6,-18.35,;31.06,-18.35,;30.29,-19.68,;30.29,-17.02,;28.75,-17.02,;27.72,-15.88,;26.3,-16.5,;26.47,-18.03,;27.98,-18.35,;25.33,-19.07,;25.5,-20.6,;24.09,-21.23,;23.06,-20.09,;23.82,-18.76,;24.97,-15.73,;23.65,-16.5,;22.32,-15.74,;22.31,-14.19,;23.65,-13.42,;24.98,-14.19,;26.32,-13.43,;27.65,-12.66,;22.31,-17.26,;20.96,-18.01,)| Show InChI InChI=1S/C18H15N5O/c1-12(2)6-15-10-23(18(22-15)16-9-21-11-24-16)17-13(7-19)4-3-5-14(17)8-20/h3-5,9-12H,6H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Displacement of RIP140 cofactor peptide from human His6-tagged RORgammat LBD (264 to 518 residues) by TR-FRET assay				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506057 (CHEMBL4444848) Show SMILES Cc1c(nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(N2CC(CC(O)=O)C2)c1Cl)C(F)(F)F |(18.43,-36.34,;18.11,-37.85,;19.14,-38.99,;18.37,-40.33,;16.86,-40.01,;15.72,-41.05,;15.88,-42.58,;14.48,-43.21,;13.45,-42.07,;11.91,-42.23,;14.21,-40.73,;16.69,-38.48,;15.36,-37.71,;15.37,-36.16,;16.7,-35.4,;14.04,-35.39,;12.7,-36.16,;12.7,-37.71,;11.37,-38.49,;9.89,-38.09,;9.5,-39.58,;8.16,-40.36,;6.83,-39.59,;6.82,-38.05,;5.5,-40.36,;10.98,-39.97,;14.04,-38.48,;12.69,-39.23,;20.67,-38.99,;21.45,-40.32,;21.44,-37.65,;22.21,-38.99,)| Show InChI InChI=1S/C20H15Cl3F3N3O3/c1-9-18(20(24,25)26)27-19(13-4-5-14(22)32-13)29(9)17-11(21)2-3-12(16(17)23)28-7-10(8-28)6-15(30)31/h2-5,10H,6-8H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Inhibition of human full-length eGFP-tagged RORgammat expressed in human HUT78 T-cells assessed as inhibition of PMA/CD3 monoclonal antibody stimulat...				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506057 (CHEMBL4444848) Show SMILES Cc1c(nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(N2CC(CC(O)=O)C2)c1Cl)C(F)(F)F |(18.43,-36.34,;18.11,-37.85,;19.14,-38.99,;18.37,-40.33,;16.86,-40.01,;15.72,-41.05,;15.88,-42.58,;14.48,-43.21,;13.45,-42.07,;11.91,-42.23,;14.21,-40.73,;16.69,-38.48,;15.36,-37.71,;15.37,-36.16,;16.7,-35.4,;14.04,-35.39,;12.7,-36.16,;12.7,-37.71,;11.37,-38.49,;9.89,-38.09,;9.5,-39.58,;8.16,-40.36,;6.83,-39.59,;6.82,-38.05,;5.5,-40.36,;10.98,-39.97,;14.04,-38.48,;12.69,-39.23,;20.67,-38.99,;21.45,-40.32,;21.44,-37.65,;22.21,-38.99,)| Show InChI InChI=1S/C20H15Cl3F3N3O3/c1-9-18(20(24,25)26)27-19(13-4-5-14(22)32-13)29(9)17-11(21)2-3-12(16(17)23)28-7-10(8-28)6-15(30)31/h2-5,10H,6-8H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Inhibition of human GAL4-DBD fused RORgammat LBD expressed in human Jurkat cells assessed as inhibition of receptor transactivation after 24 hrs by l...				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50524345 (CHEMBL4475961) Show SMILES NCc1cccc(c1)-c1cccc(c1)C(=O)Nc1ccccc1CC(O)=O Show InChI InChI=1S/C22H20N2O3/c23-14-15-5-3-7-16(11-15)17-8-4-9-19(12-17)22(27)24-20-10-2-1-6-18(20)13-21(25)26/h1-12H,13-14,23H2,(H,24,27)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CFD expressed in Escherichia coli incubated up to 2 hrs by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01020 BindingDB Entry DOI: 10.7270/Q20K2D8S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50506049 (CHEMBL4466072) Show SMILES Cc1c(nc(-c2ccc(Cl)o2)n1-c1c(Cl)ccc(NCC(C)(C)C(O)=O)c1Cl)C1(CC1)C(F)(F)F |(39.4,-36.32,;39.08,-37.83,;40.11,-38.98,;39.34,-40.31,;37.83,-39.99,;36.69,-41.03,;36.85,-42.56,;35.45,-43.19,;34.42,-42.05,;32.89,-42.21,;35.18,-40.71,;37.67,-38.46,;36.33,-37.69,;36.34,-36.15,;37.68,-35.38,;35.01,-35.37,;33.67,-36.15,;33.68,-37.7,;32.34,-38.47,;31.01,-37.7,;29.67,-38.48,;29.68,-40.02,;28.34,-39.24,;28.34,-37.71,;27.01,-38.48,;28.34,-36.17,;35.01,-38.45,;33.66,-39.21,;41.64,-38.97,;41.64,-37.43,;42.97,-38.19,;42.42,-40.31,;43.96,-40.3,;41.65,-41.64,;43.18,-41.64,)| Show InChI InChI=1S/C23H21Cl3F3N3O3/c1-11-18(22(8-9-22)23(27,28)29)31-19(14-6-7-15(25)35-14)32(11)17-12(24)4-5-13(16(17)26)30-10-21(2,3)20(33)34/h4-7,30H,8-10H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Global Discovery Chemistry Curated by ChEMBL					Assay Description Inhibition of human GAL4-DBD fused RORgammat LBD expressed in human Jurkat cells assessed as inhibition of receptor transactivation after 24 hrs by l...				J Med Chem 62: 10816-10832 (2019) Article DOI: 10.1021/acs.jmedchem.9b01291 BindingDB Entry DOI: 10.7270/Q2CF9TD7
					More data for this Ligand-Target Pair

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