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There are 9 purchasable compounds for target: AaEcR

Wt: 372.4
BDBM50128474
Wt: 360.4
BDBM50128475
Wt: 342.4
BDBM50128477
Wt: 400.5
BDBM50128481
Wt: 376.8
BDBM50128483
Wt: 388.4
BDBM50128488
Wt: 404.9
BDBM50128492
Wt: 372.4
BDBM50128494
Wt: 356.4
BDBM50128496

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50128474,50128475,50128477,50128481,50128483,50128488,50128492,50128494,50128496   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ecdysone receptor


(Aedes aegypti)
BDBM50128474
PNG
((4-Methoxy-phenyl)-((2R,4S)-2-methyl-4-phenylamino...)
Show SMILES COc1ccc(cc1)C(=O)N1[C@H](C)C[C@H](Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H24N2O2/c1-17-16-22(25-19-8-4-3-5-9-19)21-10-6-7-11-23(21)26(17)24(27)18-12-14-20(28-2)15-13-18/h3-15,17,22,25H,16H2,1-2H3/t17-,22+/m1/s1
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KEGG

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PubMed
n/an/an/an/a 1.43E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128475
PNG
((3-Fluoro-phenyl)-((2R,4S)-2-methyl-4-phenylamino-...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc(F)c1
Show InChI InChI=1S/C23H21FN2O/c1-16-14-21(25-19-10-3-2-4-11-19)20-12-5-6-13-22(20)26(16)23(27)17-8-7-9-18(24)15-17/h2-13,15-16,21,25H,14H2,1H3/t16-,21+/m1/s1
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n/an/an/an/a 750n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128477
PNG
(((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-qui...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C23H22N2O/c1-17-16-21(24-19-12-6-3-7-13-19)20-14-8-9-15-22(20)25(17)23(26)18-10-4-2-5-11-18/h2-15,17,21,24H,16H2,1H3/t17-,21+/m1/s1
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n/an/an/an/a 1.12E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128481
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES COc1ccc(cc1)C(=O)N1[C@H](C)C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C26H28N2O2/c1-17-5-10-21(11-6-17)27-24-16-19(3)28(25-14-7-18(2)15-23(24)25)26(29)20-8-12-22(30-4)13-9-20/h5-15,19,24,27H,16H2,1-4H3/t19-,24+/m1/s1
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n/an/an/an/a 5.32E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128496
PNG
(((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-qui...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H24N2O/c1-17-12-14-19(15-13-17)24(27)26-18(2)16-22(21-10-6-7-11-23(21)26)25-20-8-4-3-5-9-20/h3-15,18,22,25H,16H2,1-2H3/t18-,22+/m1/s1
PDB
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KEGG

UniProtKB/SwissProt

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PubMed
n/an/an/an/a 990n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128494
PNG
((3-Methoxy-phenyl)-((2R,4S)-2-methyl-4-phenylamino...)
Show SMILES COc1cccc(c1)C(=O)N1[C@H](C)C[C@H](Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H24N2O2/c1-17-15-22(25-19-10-4-3-5-11-19)21-13-6-7-14-23(21)26(17)24(27)18-9-8-12-20(16-18)28-2/h3-14,16-17,22,25H,15H2,1-2H3/t17-,22+/m1/s1
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n/an/an/an/a 700n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128488
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1cccc(F)c1
Show InChI InChI=1S/C25H25FN2O/c1-16-7-10-21(11-8-16)27-23-14-18(3)28(24-12-9-17(2)13-22(23)24)25(29)19-5-4-6-20(26)15-19/h4-13,15,18,23,27H,14H2,1-3H3/t18-,23+/m1/s1
PDB
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n/an/an/an/a 3.00E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128492
PNG
((4-Chloro-phenyl)-((2R,4S)-2,6-dimethyl-4-p-tolyla...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O/c1-16-4-11-21(12-5-16)27-23-15-18(3)28(24-13-6-17(2)14-22(23)24)25(29)19-7-9-20(26)10-8-19/h4-14,18,23,27H,15H2,1-3H3/t18-,23+/m1/s1
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n/an/an/an/a 2.15E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128483
PNG
((4-Chloro-phenyl)-((2R,4S)-2-methyl-4-phenylamino-...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN2O/c1-16-15-21(25-19-7-3-2-4-8-19)20-9-5-6-10-22(20)26(16)23(27)17-11-13-18(24)14-12-17/h2-14,16,21,25H,15H2,1H3/t16-,21+/m1/s1
PDB
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KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
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PubMed
n/an/an/an/a 980n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)

More data for this
Ligand-Target Pair