Compile Data Set for Download or QSAR

PubMed code 24702856

Found 84 hits of Enzyme Inhibition Constant Data   

TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012275(CHEMBL3260000)
Show SMILES CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H16ClF6NO2/c1-2-3-8-28-16-7-4-11(18(30,19(22,23)24)20(25,26)27)9-15(16)14-10-12(21)5-6-13(14)17(28)29/h4-7,9-10,30H,2-3,8H2,1H3
Affinity DataIC50: 680nMAssay Description:Antagonist activity at human LXR-beta expressed in HEK293 cells assessed as inhibition of T0901317-induced effect after 16 hrs by luciferase reporter...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012275(CHEMBL3260000)
Show SMILES CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H16ClF6NO2/c1-2-3-8-28-16-7-4-11(18(30,19(22,23)24)20(25,26)27)9-15(16)14-10-12(21)5-6-13(14)17(28)29/h4-7,9-10,30H,2-3,8H2,1H3
Affinity DataIC50: 690nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012274(CHEMBL3259999)
Show SMILES CCCCn1c2ccc(cc2c2cc(C)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO2/c1-3-4-9-28-17-8-6-13(19(30,20(22,23)24)21(25,26)27)11-16(17)15-10-12(2)5-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3
Affinity DataIC50: 1.00E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012273(CHEMBL1765174)
Show SMILES CCCCn1c2ccc(cc2c2cc(OC)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-8-5-12(19(30,20(22,23)24)21(25,26)27)10-16(17)15-11-13(31-2)6-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3
Affinity DataIC50: 1.10E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012276(CHEMBL3260001)
Show SMILES CCCCn1c2ccc(cc2c2cc(ccc2c1=O)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H16F9NO2/c1-2-3-8-31-16-7-5-11(18(33,20(25,26)27)21(28,29)30)9-15(16)14-10-12(19(22,23)24)4-6-13(14)17(31)32/h4-7,9-10,33H,2-3,8H2,1H3
Affinity DataIC50: 2.60E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012275(CHEMBL3260000)
Show SMILES CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H16ClF6NO2/c1-2-3-8-28-16-7-4-11(18(30,19(22,23)24)20(25,26)27)9-15(16)14-10-12(21)5-6-13(14)17(28)29/h4-7,9-10,30H,2-3,8H2,1H3
Affinity DataIC50: 3.00E+3nMAssay Description:Antagonist activity at human LXR-alpha expressed in HEK293 cells assessed as inhibition of T0901317-induced effect after 16 hrs by luciferase reporte...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012260(CHEMBL1091939)
Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6NO2/c1-2-3-10-27-16-9-8-12(18(29,19(21,22)23)20(24,25)26)11-15(16)13-6-4-5-7-14(13)17(27)28/h4-9,11,29H,2-3,10H2,1H3
Affinity DataIC50: 3.90E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012277(CHEMBL3260002)
Show SMILES CCCCn1c2ccc(cc2c2cc(O)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6NO3/c1-2-3-8-27-16-7-4-11(18(30,19(21,22)23)20(24,25)26)9-15(16)14-10-12(28)5-6-13(14)17(27)29/h4-7,9-10,28,30H,2-3,8H2,1H3
Affinity DataIC50: 4.10E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012265(CHEMBL3259996)
Show SMILES CCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H15F6NO2/c1-2-9-26-15-8-7-11(17(28,18(20,21)22)19(23,24)25)10-14(15)12-5-3-4-6-13(12)16(26)27/h3-8,10,28H,2,9H2,1H3
Affinity DataIC50: 4.20E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012279(CHEMBL1091940)
Show SMILES CCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H21F6NO2/c1-2-3-4-7-12-29-18-11-10-14(20(31,21(23,24)25)22(26,27)28)13-17(18)15-8-5-6-9-16(15)19(29)30/h5-6,8-11,13,31H,2-4,7,12H2,1H3
Affinity DataIC50: 4.70E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012275(CHEMBL3260000)
Show SMILES CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H16ClF6NO2/c1-2-3-8-28-16-7-4-11(18(30,19(22,23)24)20(25,26)27)9-15(16)14-10-12(21)5-6-13(14)17(28)29/h4-7,9-10,30H,2-3,8H2,1H3
Affinity DataIC50: 4.90E+3nMAssay Description:Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012273(CHEMBL1765174)
Show SMILES CCCCn1c2ccc(cc2c2cc(OC)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-8-5-12(19(30,20(22,23)24)21(25,26)27)10-16(17)15-11-13(31-2)6-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3
Affinity DataIC50: 5.30E+3nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012279(CHEMBL1091940)
Show SMILES CCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H21F6NO2/c1-2-3-4-7-12-29-18-11-10-14(20(31,21(23,24)25)22(26,27)28)13-17(18)15-8-5-6-9-16(15)19(29)30/h5-6,8-11,13,31H,2-4,7,12H2,1H3
Affinity DataIC50: 5.40E+3nMAssay Description:Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012276(CHEMBL3260001)
Show SMILES CCCCn1c2ccc(cc2c2cc(ccc2c1=O)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H16F9NO2/c1-2-3-8-31-16-7-5-11(18(33,20(25,26)27)21(28,29)30)9-15(16)14-10-12(19(22,23)24)4-6-13(14)17(31)32/h4-7,9-10,33H,2-3,8H2,1H3
Affinity DataIC50: 5.50E+3nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012277(CHEMBL3260002)
Show SMILES CCCCn1c2ccc(cc2c2cc(O)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6NO3/c1-2-3-8-27-16-7-4-11(18(30,19(21,22)23)20(24,25)26)9-15(16)14-10-12(28)5-6-13(14)17(27)29/h4-7,9-10,28,30H,2-3,8H2,1H3
Affinity DataIC50: 5.50E+3nMAssay Description:Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012276(CHEMBL3260001)
Show SMILES CCCCn1c2ccc(cc2c2cc(ccc2c1=O)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H16F9NO2/c1-2-3-8-31-16-7-5-11(18(33,20(25,26)27)21(28,29)30)9-15(16)14-10-12(19(22,23)24)4-6-13(14)17(31)32/h4-7,9-10,33H,2-3,8H2,1H3
Affinity DataIC50: 5.60E+3nMAssay Description:Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012275(CHEMBL3260000)
Show SMILES CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H16ClF6NO2/c1-2-3-8-28-16-7-4-11(18(30,19(22,23)24)20(25,26)27)9-15(16)14-10-12(21)5-6-13(14)17(28)29/h4-7,9-10,30H,2-3,8H2,1H3
Affinity DataIC50: 5.60E+3nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012238(CHEMBL1765175)
Show SMILES CCCCn1c2ccc(cc2c2c(OC)cccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-10-28-15-9-8-12(19(30,20(22,23)24)21(25,26)27)11-14(15)17-13(18(28)29)6-5-7-16(17)31-2/h5-9,11,30H,3-4,10H2,1-2H3
Affinity DataIC50: 5.70E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012262(CHEMBL1090463)
Show SMILES OC(c1ccc2n(CC3CCCCC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21F6NO2/c24-22(25,26)21(32,23(27,28)29)15-10-11-19-18(12-15)16-8-4-5-9-17(16)20(31)30(19)13-14-6-2-1-3-7-14/h4-5,8-12,14,32H,1-3,6-7,13H2
Affinity DataIC50: 5.80E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012259(CHEMBL3259995)
Show SMILES CC(C)n1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H15F6NO2/c1-10(2)26-15-8-7-11(17(28,18(20,21)22)19(23,24)25)9-14(15)12-5-3-4-6-13(12)16(26)27/h3-10,28H,1-2H3
Affinity DataIC50: 6.00E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012277(CHEMBL3260002)
Show SMILES CCCCn1c2ccc(cc2c2cc(O)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6NO3/c1-2-3-8-27-16-7-4-11(18(30,19(21,22)23)20(24,25)26)9-15(16)14-10-12(28)5-6-13(14)17(27)29/h4-7,9-10,28,30H,2-3,8H2,1H3
Affinity DataIC50: 6.40E+3nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM19993(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
Affinity DataIC50: 6.50E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012260(CHEMBL1091939)
Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6NO2/c1-2-3-10-27-16-9-8-12(18(29,19(21,22)23)20(24,25)26)11-15(16)13-6-4-5-7-14(13)17(27)28/h4-9,11,29H,2-3,10H2,1H3
Affinity DataIC50: 6.50E+3nMAssay Description:Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012274(CHEMBL3259999)
Show SMILES CCCCn1c2ccc(cc2c2cc(C)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO2/c1-3-4-9-28-17-8-6-13(19(30,20(22,23)24)21(25,26)27)11-16(17)15-10-12(2)5-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3
Affinity DataIC50: 7.10E+3nMAssay Description:Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012238(CHEMBL1765175)
Show SMILES CCCCn1c2ccc(cc2c2c(OC)cccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-10-28-15-9-8-12(19(30,20(22,23)24)21(25,26)27)11-14(15)17-13(18(28)29)6-5-7-16(17)31-2/h5-9,11,30H,3-4,10H2,1-2H3
Affinity DataIC50: 7.50E+3nMAssay Description:Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012279(CHEMBL1091940)
Show SMILES CCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H21F6NO2/c1-2-3-4-7-12-29-18-11-10-14(20(31,21(23,24)25)22(26,27)28)13-17(18)15-8-5-6-9-16(15)19(29)30/h5-6,8-11,13,31H,2-4,7,12H2,1H3
Affinity DataIC50: 7.60E+3nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012274(CHEMBL3259999)
Show SMILES CCCCn1c2ccc(cc2c2cc(C)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO2/c1-3-4-9-28-17-8-6-13(19(30,20(22,23)24)21(25,26)27)11-16(17)15-10-12(2)5-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3
Affinity DataIC50: 7.60E+3nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012273(CHEMBL1765174)
Show SMILES CCCCn1c2ccc(cc2c2cc(OC)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-8-5-12(19(30,20(22,23)24)21(25,26)27)10-16(17)15-11-13(31-2)6-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3
Affinity DataIC50: 7.70E+3nMAssay Description:Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012248(CHEMBL1765167)
Show SMILES CCCCn1c2cc(OC)c(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-16-11-17(31-2)15(19(30,20(22,23)24)21(25,26)27)10-14(16)12-7-5-6-8-13(12)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3
Affinity DataIC50: 7.80E+3nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012239(CHEMBL1092222)
Show SMILES CCCCn1c2ccc(CC)cc2c2ccccc2c1=O
Show InChI InChI=1S/C19H21NO/c1-3-5-12-20-18-11-10-14(4-2)13-17(18)15-8-6-7-9-16(15)19(20)21/h6-11,13H,3-5,12H2,1-2H3
Affinity DataIC50: 7.90E+3nMAssay Description:Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012265(CHEMBL3259996)
Show SMILES CCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H15F6NO2/c1-2-9-26-15-8-7-11(17(28,18(20,21)22)19(23,24)25)10-14(15)12-5-3-4-6-13(12)16(26)27/h3-8,10,28H,2,9H2,1H3
Affinity DataIC50: 8.20E+3nMAssay Description:Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012262(CHEMBL1090463)
Show SMILES OC(c1ccc2n(CC3CCCCC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21F6NO2/c24-22(25,26)21(32,23(27,28)29)15-10-11-19-18(12-15)16-8-4-5-9-17(16)20(31)30(19)13-14-6-2-1-3-7-14/h4-5,8-12,14,32H,1-3,6-7,13H2
Affinity DataIC50: 8.80E+3nMAssay Description:Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012206(CHEMBL1093518)
Show SMILES OC(c1ccc2n(CC(F)(F)F)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H10F9NO2/c19-15(20,21)8-28-13-6-5-9(16(30,17(22,23)24)18(25,26)27)7-12(13)10-3-1-2-4-11(10)14(28)29/h1-7,30H,8H2
Affinity DataIC50: 9.00E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012239(CHEMBL1092222)
Show SMILES CCCCn1c2ccc(CC)cc2c2ccccc2c1=O
Show InChI InChI=1S/C19H21NO/c1-3-5-12-20-18-11-10-14(4-2)13-17(18)15-8-6-7-9-16(15)19(20)21/h6-11,13H,3-5,12H2,1-2H3
Affinity DataIC50: 9.00E+3nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012238(CHEMBL1765175)
Show SMILES CCCCn1c2ccc(cc2c2c(OC)cccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-10-28-15-9-8-12(19(30,20(22,23)24)21(25,26)27)11-14(15)17-13(18(28)29)6-5-7-16(17)31-2/h5-9,11,30H,3-4,10H2,1-2H3
Affinity DataIC50: 9.10E+3nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012248(CHEMBL1765167)
Show SMILES CCCCn1c2cc(OC)c(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-16-11-17(31-2)15(19(30,20(22,23)24)21(25,26)27)10-14(16)12-7-5-6-8-13(12)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3
Affinity DataIC50: 9.20E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012239(CHEMBL1092222)
Show SMILES CCCCn1c2ccc(CC)cc2c2ccccc2c1=O
Show InChI InChI=1S/C19H21NO/c1-3-5-12-20-18-11-10-14(4-2)13-17(18)15-8-6-7-9-16(15)19(20)21/h6-11,13H,3-5,12H2,1-2H3
Affinity DataIC50: 9.20E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012258(CHEMBL3259993)
Show SMILES OC(c1ccc2n(CC3CC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H15F6NO2/c21-19(22,23)18(29,20(24,25)26)12-7-8-16-15(9-12)13-3-1-2-4-14(13)17(28)27(16)10-11-5-6-11/h1-4,7-9,11,29H,5-6,10H2
Affinity DataIC50: 9.30E+3nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012259(CHEMBL3259995)
Show SMILES CC(C)n1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H15F6NO2/c1-10(2)26-15-8-7-11(17(28,18(20,21)22)19(23,24)25)9-14(15)12-5-3-4-6-13(12)16(26)27/h3-10,28H,1-2H3
Affinity DataIC50: 9.70E+3nMAssay Description:Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012260(CHEMBL1091939)
Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6NO2/c1-2-3-10-27-16-9-8-12(18(29,19(21,22)23)20(24,25)26)11-15(16)13-6-4-5-7-14(13)17(27)28/h4-9,11,29H,2-3,10H2,1H3
Affinity DataIC50: 9.80E+3nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012206(CHEMBL1093518)
Show SMILES OC(c1ccc2n(CC(F)(F)F)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H10F9NO2/c19-15(20,21)8-28-13-6-5-9(16(30,17(22,23)24)18(25,26)27)7-12(13)10-3-1-2-4-11(10)14(28)29/h1-7,30H,8H2
Affinity DataIC50: 9.90E+3nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012268(CHEMBL1765172)
Show SMILES CCCCn1c2c(OC)cc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-15(13-7-5-6-8-14(13)18(28)29)10-12(11-16(17)31-2)19(30,20(22,23)24)21(25,26)27/h5-8,10-11,30H,3-4,9H2,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012268(CHEMBL1765172)
Show SMILES CCCCn1c2c(OC)cc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-15(13-7-5-6-8-14(13)18(28)29)10-12(11-16(17)31-2)19(30,20(22,23)24)21(25,26)27/h5-8,10-11,30H,3-4,9H2,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012268(CHEMBL1765172)
Show SMILES CCCCn1c2c(OC)cc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-15(13-7-5-6-8-14(13)18(28)29)10-12(11-16(17)31-2)19(30,20(22,23)24)21(25,26)27/h5-8,10-11,30H,3-4,9H2,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012206(CHEMBL1093518)
Show SMILES OC(c1ccc2n(CC(F)(F)F)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H10F9NO2/c19-15(20,21)8-28-13-6-5-9(16(30,17(22,23)24)18(25,26)27)7-12(13)10-3-1-2-4-11(10)14(28)29/h1-7,30H,8H2
Affinity DataIC50: 1.01E+4nMAssay Description:Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012261(CHEMBL1093016)
Show SMILES CCCCn1c2ccccc2c2ccccc2c1=O
Show InChI InChI=1S/C17H17NO/c1-2-3-12-18-16-11-7-6-9-14(16)13-8-4-5-10-15(13)17(18)19/h4-11H,2-3,12H2,1H3
Affinity DataIC50: 1.02E+4nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012262(CHEMBL1090463)
Show SMILES OC(c1ccc2n(CC3CCCCC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21F6NO2/c24-22(25,26)21(32,23(27,28)29)15-10-11-19-18(12-15)16-8-4-5-9-17(16)20(31)30(19)13-14-6-2-1-3-7-14/h4-5,8-12,14,32H,1-3,6-7,13H2
Affinity DataIC50: 1.03E+4nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012263(CHEMBL3259997)
Show SMILES CCCCCCc1ccc2n(CCCC)c(=O)c3ccccc3c2c1
Show InChI InChI=1S/C23H29NO/c1-3-5-7-8-11-18-14-15-22-21(17-18)19-12-9-10-13-20(19)23(25)24(22)16-6-4-2/h9-10,12-15,17H,3-8,11,16H2,1-2H3
Affinity DataIC50: 1.03E+4nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012264(CHEMBL1089421)
Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(C)(C)C
Show InChI InChI=1S/C21H25NO/c1-5-6-13-22-19-12-11-15(21(2,3)4)14-18(19)16-9-7-8-10-17(16)20(22)23/h7-12,14H,5-6,13H2,1-4H3
Affinity DataIC50: 1.04E+4nMAssay Description:Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50012265(CHEMBL3259996)
Show SMILES CCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H15F6NO2/c1-2-9-26-15-8-7-11(17(28,18(20,21)22)19(23,24)25)10-14(15)12-5-3-4-6-13(12)16(26)27/h3-8,10,28H,2,9H2,1H3
Affinity DataIC50: 1.08E+4nMAssay Description:Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
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