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Compile Data Set for Download or QSAR

Found 12 hits of ec50 for monomerid = 50426729   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta (unknown origin)


Bioorg Med Chem Lett 23: 579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.012
BindingDB Entry DOI: 10.7270/Q2P270GF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 39n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...


Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 190n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...


Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 246n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human LXRbeta expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual...


Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 320n/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha (unknown origin)


Bioorg Med Chem Lett 23: 579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.012
BindingDB Entry DOI: 10.7270/Q2P270GF
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
PDB

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PubMed
n/an/an/an/a 593n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 930n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at RORgamma in human CD4+ T cells assessed as inhibition of IL17A secretion after 72 hrs by ELISA


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.015
BindingDB Entry DOI: 10.7270/Q2P84GHM
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 1.08E+3n/an/an/an/a


TBA

Assay Description
Inverse agonist activity at pSG5GAL4-DBD/LBD fused human RORgamma receptor expressed in COS7 cells co-expressing 5 copies of GAL4 response element af...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.05.015
BindingDB Entry DOI: 10.7270/Q2P84GHM
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 3.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dua...


Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))
BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
PDB
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n/an/an/an/a 4.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
PDB
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n/an/an/an/a 9.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...


Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair