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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Liver X receptor (LXR alpha AND LXR beta)' and Ligand = 'BDBM50184262'   
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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184262
PNG
(2-oxo-1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]is...)
Show SMILES CCCc1c(OCCCN2C(=O)Cc3cc(ccc23)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O5/c1-2-4-15-18(8-6-16-20(15)33-27-21(16)23(24,25)26)32-10-3-9-28-17-7-5-13(22(30)31)11-14(17)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,30,31)
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Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR alpha


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184262
PNG
(2-oxo-1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]is...)
Show SMILES CCCc1c(OCCCN2C(=O)Cc3cc(ccc23)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O5/c1-2-4-15-18(8-6-16-20(15)33-27-21(16)23(24,25)26)32-10-3-9-28-17-7-5-13(22(30)31)11-14(17)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,30,31)
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PC sid
UniChem

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Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LXR beta


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50184262
PNG
(2-oxo-1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]is...)
Show SMILES CCCc1c(OCCCN2C(=O)Cc3cc(ccc23)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O5/c1-2-4-15-18(8-6-16-20(15)33-27-21(16)23(24,25)26)32-10-3-9-28-17-7-5-13(22(30)31)11-14(17)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,30,31)
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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 4.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR beta as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
BDBM50184262
PNG
(2-oxo-1-(3-(7-propyl-3-(trifluoromethyl)benzo[d]is...)
Show SMILES CCCc1c(OCCCN2C(=O)Cc3cc(ccc23)C(O)=O)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O5/c1-2-4-15-18(8-6-16-20(15)33-27-21(16)23(24,25)26)32-10-3-9-28-17-7-5-13(22(30)31)11-14(17)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,30,31)
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Article
PubMed
n/an/an/an/a 3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at LXR alpha as beta-lactamase transactivation in CHO cells


Bioorg Med Chem Lett 16: 3055-60 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6
More data for this
Ligand-Target Pair