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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 = 'BDBM50192128'   
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))
BDBM50192128
PNG
(2-(4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1CN(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H16ClF9N2O2/c1-12-17(33-18(36-12)13-3-2-4-15(23)9-13)10-34(11-19(24,25)26)16-7-5-14(6-8-16)20(35,21(27,28)29)22(30,31)32/h2-9,35H,10-11H2,1H3
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PC sid
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n/an/a 30n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192128
PNG
(2-(4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1CN(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H16ClF9N2O2/c1-12-17(33-18(36-12)13-3-2-4-15(23)9-13)10-34(11-19(24,25)26)16-7-5-14(6-8-16)20(35,21(27,28)29)22(30,31)32/h2-9,35H,10-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to LXRbeta by radioligand displacement assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192128
PNG
(2-(4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1CN(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H16ClF9N2O2/c1-12-17(33-18(36-12)13-3-2-4-15(23)9-13)10-34(11-19(24,25)26)16-7-5-14(6-8-16)20(35,21(27,28)29)22(30,31)32/h2-9,35H,10-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 300n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Transactivation of LXRbeta by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50192128
PNG
(2-(4-(((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)
Show SMILES Cc1oc(nc1CN(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H16ClF9N2O2/c1-12-17(33-18(36-12)13-3-2-4-15(23)9-13)10-34(11-19(24,25)26)16-7-5-14(6-8-16)20(35,21(27,28)29)22(30,31)32/h2-9,35H,10-11H2,1H3
PDB
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NCI pathway
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Transactivation of LXRalpha by luciferase reporter gene assay


Bioorg Med Chem Lett 16: 5231-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.081
BindingDB Entry DOI: 10.7270/Q2HD7V80
More data for this
Ligand-Target Pair