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2 similar compounds to monomer 50378593

Compile data set for download or QSAR
Wt: 515.5
BDBM50378591
Wt: 529.5
BDBM50378592

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50378591,50378592   
Target/Host
(Institution)
LigandTarget/Host
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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50378592
PNG
(CHEMBL612006)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCCCC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C27H26F3N3O3S/c1-37(34,35)22-11-6-10-21(17-22)36-20-9-5-8-19(16-20)25-24(18-32-13-3-2-4-14-32)31-26-23(27(28,29)30)12-7-15-33(25)26/h5-12,15-17H,2-4,13-14,18H2,1H3
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n/an/an/an/a 920n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-LBD fused LXRbeta LBD expressed in Huh7 cells by transient transactivation assay


Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50378592
PNG
(CHEMBL612006)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCCCC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C27H26F3N3O3S/c1-37(34,35)22-11-6-10-21(17-22)36-20-9-5-8-19(16-20)25-24(18-32-13-3-2-4-14-32)31-26-23(27(28,29)30)12-7-15-33(25)26/h5-12,15-17H,2-4,13-14,18H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50378592
PNG
(CHEMBL612006)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCCCC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C27H26F3N3O3S/c1-37(34,35)22-11-6-10-21(17-22)36-20-9-5-8-19(16-20)25-24(18-32-13-3-2-4-14-32)31-26-23(27(28,29)30)12-7-15-33(25)26/h5-12,15-17H,2-4,13-14,18H2,1H3
PDB
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n/an/a 69n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50378592
PNG
(CHEMBL612006)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCCCC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C27H26F3N3O3S/c1-37(34,35)22-11-6-10-21(17-22)36-20-9-5-8-19(16-20)25-24(18-32-13-3-2-4-14-32)31-26-23(27(28,29)30)12-7-15-33(25)26/h5-12,15-17H,2-4,13-14,18H2,1H3
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n/an/an/an/a 204n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-LBD fused LXRalpha LBD expressed in Huh7 cells by transient transactivation assay


Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50378591
PNG
(CHEMBL612005)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCCC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C26H24F3N3O3S/c1-36(33,34)21-10-5-9-20(16-21)35-19-8-4-7-18(15-19)24-23(17-31-12-2-3-13-31)30-25-22(26(27,28)29)11-6-14-32(24)25/h4-11,14-16H,2-3,12-13,17H2,1H3
PDB
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Article
PubMed
n/an/a 279n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50378591
PNG
(CHEMBL612005)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(CN3CCCC3)nc3c(cccn23)C(F)(F)F)c1
Show InChI InChI=1S/C26H24F3N3O3S/c1-36(33,34)21-10-5-9-20(16-21)35-19-8-4-7-18(15-19)24-23(17-31-12-2-3-13-31)30-25-22(26(27,28)29)11-6-14-32(24)25/h4-11,14-16H,2-3,12-13,17H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 521-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.098
BindingDB Entry DOI: 10.7270/Q27D2W3S
More data for this
Ligand-Target Pair