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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Ecdysone receptor' AND taxid = 7141   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128297
PNG
(5-Ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic...)
Show SMILES CCc1c2OCCOc2ccc1C(=O)NC1(CCCCC1)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C26H31NO4/c1-4-20-21(8-9-22-23(20)31-13-12-30-22)25(29)27-26(10-6-5-7-11-26)24(28)19-15-17(2)14-18(3)16-19/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,27,29)
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n/an/an/an/a 390n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128300
PNG
(CHEMBL55869 | N-[1-(3,5-Dimethyl-benzoyl)-cyclohex...)
Show SMILES COc1cccc(C(=O)NC2(CCCCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C24H29NO3/c1-16-13-17(2)15-19(14-16)22(26)24(11-6-5-7-12-24)25-23(27)20-9-8-10-21(28-4)18(20)3/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,25,27)
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n/an/an/an/a 1.11E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128304
PNG
(CHEMBL52252 | N-[4-(3,5-Dimethyl-benzoyl)-tetrahyd...)
Show SMILES COc1cccc(C(=O)NC2(CCSCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C23H27NO3S/c1-15-12-16(2)14-18(13-15)21(25)23(8-10-28-11-9-23)24-22(26)19-6-5-7-20(27-4)17(19)3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26)
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n/an/an/an/a 1.80E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128305
PNG
(3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenz...)
Show SMILES COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C
Show InChI InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)
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n/an/an/an/a 280n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128298
PNG
(CHEMBL299671 | N-[1-(3,5-Dimethyl-benzoyl)-1-ethyl...)
Show SMILES CCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C23H29NO3/c1-7-23(8-2,21(25)18-13-15(3)12-16(4)14-18)24-22(26)19-10-9-11-20(27-6)17(19)5/h9-14H,7-8H2,1-6H3,(H,24,26)
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n/an/an/an/a 6.23E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128301
PNG
(CHEMBL54575 | N-[1-(3,5-Dimethyl-benzoyl)-cyclobut...)
Show SMILES COc1cccc(C(=O)NC2(CCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C22H25NO3/c1-14-11-15(2)13-17(12-14)20(24)22(9-6-10-22)23-21(25)18-7-5-8-19(26-4)16(18)3/h5,7-8,11-13H,6,9-10H2,1-4H3,(H,23,25)
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n/an/an/an/a 1.00E+4n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128311
PNG
(CHEMBL54983 | N-[2-(3,5-Dimethyl-phenyl)-1,1-dimet...)
Show SMILES COc1cccc(C(=O)NC(C)(C)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C21H25NO3/c1-13-10-14(2)12-16(11-13)19(23)21(4,5)22-20(24)17-8-7-9-18(25-6)15(17)3/h7-12H,1-6H3,(H,22,24)
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n/an/an/an/a 4.20E+4n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128312
PNG
(3-Methoxy-N-[1-(2-methoxy-benzoyl)-cyclohexyl]-2-m...)
Show SMILES COc1cccc(C(=O)NC2(CCCCC2)C(=O)c2ccccc2OC)c1C
Show InChI InChI=1S/C23H27NO4/c1-16-17(11-9-13-19(16)27-2)22(26)24-23(14-7-4-8-15-23)21(25)18-10-5-6-12-20(18)28-3/h5-6,9-13H,4,7-8,14-15H2,1-3H3,(H,24,26)
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n/an/an/an/a 1.03E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128310
PNG
(CHEMBL55953 | N-[1-(3,5-Dimethyl-benzoyl)-cyclopro...)
Show SMILES COc1cccc(C(=O)NC2(CC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C21H23NO3/c1-13-10-14(2)12-16(11-13)19(23)21(8-9-21)22-20(24)17-6-5-7-18(25-4)15(17)3/h5-7,10-12H,8-9H2,1-4H3,(H,22,24)
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n/an/an/an/a 3.33E+4n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128309
PNG
(3,5-Dimethyl-benzoic acid N-tert-butyl-N'-(2-ethyl...)
Show SMILES CCc1c(OC)cccc1C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C23H30N2O3/c1-8-18-19(10-9-11-20(18)28-7)21(26)24-25(23(4,5)6)22(27)17-13-15(2)12-16(3)14-17/h9-14H,8H2,1-7H3,(H,24,26)
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n/an/an/an/a 410n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128308
PNG
(CHEMBL293929 | N-[4-(3,5-Dimethyl-benzoyl)-1,1-dio...)
Show SMILES COc1cccc(C(=O)NC2(CCS(=O)(=O)CC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C23H27NO5S/c1-15-12-16(2)14-18(13-15)21(25)23(8-10-30(27,28)11-9-23)24-22(26)19-6-5-7-20(29-4)17(19)3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26)
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n/an/an/an/a 3.00E+4n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128315
PNG
(CHEMBL300989 | N-[1-(3,5-Dimethyl-benzoyl)-cyclohe...)
Show SMILES COc1cccc(C(=O)NC2(CCCCCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C25H31NO3/c1-17-14-18(2)16-20(15-17)23(27)25(12-7-5-6-8-13-25)26-24(28)21-10-9-11-22(29-4)19(21)3/h9-11,14-16H,5-8,12-13H2,1-4H3,(H,26,28)
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n/an/an/an/a 2.97E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128299
PNG
(4-Methyl-benzo[1,3]dioxole-5-carboxylic acid [1-(3...)
Show SMILES Cc1cc(C)cc(c1)C(=O)C1(CCCCC1)NC(=O)c1ccc2OCOc2c1C
Show InChI InChI=1S/C24H27NO4/c1-15-11-16(2)13-18(12-15)22(26)24(9-5-4-6-10-24)25-23(27)19-7-8-20-21(17(19)3)29-14-28-20/h7-8,11-13H,4-6,9-10,14H2,1-3H3,(H,25,27)
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n/an/an/an/a 3.22E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128313
PNG
(CHEMBL57543 | N-[1-(3,5-Dimethyl-benzoyl)-cyclopen...)
Show SMILES COc1cccc(C(=O)NC2(CCCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C23H27NO3/c1-15-12-16(2)14-18(13-15)21(25)23(10-5-6-11-23)24-22(26)19-8-7-9-20(27-4)17(19)3/h7-9,12-14H,5-6,10-11H2,1-4H3,(H,24,26)
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n/an/an/an/a 1.91E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128302
PNG
(CHEMBL59044 | N-[1-(3,5-Dimethyl-benzoyl)-cyclohex...)
Show SMILES CCc1c(OC)cccc1C(=O)NC1(CCCCC1)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C25H31NO3/c1-5-20-21(10-9-11-22(20)29-4)24(28)26-25(12-7-6-8-13-25)23(27)19-15-17(2)14-18(3)16-19/h9-11,14-16H,5-8,12-13H2,1-4H3,(H,26,28)
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n/an/an/an/a 1.25E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128307
PNG
(CHEMBL56411 | N-[4-(3,5-Dimethyl-benzoyl)-tetrahyd...)
Show SMILES COc1cccc(C(=O)NC2(CCOCC2)C(=O)c2cc(C)cc(C)c2)c1C
Show InChI InChI=1S/C23H27NO4/c1-15-12-16(2)14-18(13-15)21(25)23(8-10-28-11-9-23)24-22(26)19-6-5-7-20(27-4)17(19)3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26)
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RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128306
PNG
(3-Methoxy-N-[1-(2-methoxy-benzoyl)-cycloheptyl]-2-...)
Show SMILES COc1cccc(C(=O)NC2(CCCCCC2)C(=O)c2ccccc2OC)c1C
Show InChI InChI=1S/C24H29NO4/c1-17-18(12-10-14-20(17)28-2)23(27)25-24(15-8-4-5-9-16-24)22(26)19-11-6-7-13-21(19)29-3/h6-7,10-14H,4-5,8-9,15-16H2,1-3H3,(H,25,27)
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n/an/an/an/a 3.36E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Choristoneura fumiferana)
BDBM50128303
PNG
(3-Methoxy-N-[1-(2-methoxy-benzoyl)-cyclopentyl]-2-...)
Show SMILES COc1cccc(C(=O)NC2(CCCC2)C(=O)c2ccccc2OC)c1C
Show InChI InChI=1S/C22H25NO4/c1-15-16(10-8-12-18(15)26-2)21(25)23-22(13-6-7-14-22)20(24)17-9-4-5-11-19(17)27-3/h4-5,8-12H,6-7,13-14H2,1-3H3,(H,23,25)
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n/an/an/an/a 6.61E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Dose affording 50% of maximum transactivation for ecdysone receptor from Choristoneura fumiferana (CfEcR) and a luciferase reporter gene in CHO cells


Bioorg Med Chem Lett 13: 1883-6 (2003)

More data for this
Ligand-Target Pair