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2 similar compounds to monomer 50305072

Compile data set for download or QSAR
Wt: 409.8
BDBM50305071
Wt: 500.0
BDBM50305073

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50305071,50305073   
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))
BDBM50305073
PNG
(3-benzyl-8-chloro-4-(3-(3-(methylsulfonyl)phenoxy)...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C29H22ClNO3S/c1-35(32,33)25-13-6-12-24(18-25)34-23-11-5-10-21(17-23)28-22(16-20-8-3-2-4-9-20)19-31-29-26(28)14-7-15-27(29)30/h2-15,17-19H,16H2,1H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.30n/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: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305073
PNG
(3-benzyl-8-chloro-4-(3-(3-(methylsulfonyl)phenoxy)...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C29H22ClNO3S/c1-35(32,33)25-13-6-12-24(18-25)34-23-11-5-10-21(17-23)28-22(16-20-8-3-2-4-9-20)19-31-29-26(28)14-7-15-27(29)30/h2-15,17-19H,16H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/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: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305071
PNG
(8-chloro-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)qu...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2ccnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C22H16ClNO3S/c1-28(25,26)18-8-3-7-17(14-18)27-16-6-2-5-15(13-16)19-11-12-24-22-20(19)9-4-10-21(22)23/h2-14H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.20n/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: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50305071
PNG
(8-chloro-4-(3-(3-(methylsulfonyl)phenoxy)phenyl)qu...)
Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2ccnc3c(Cl)cccc23)c1
Show InChI InChI=1S/C22H16ClNO3S/c1-28(25,26)18-8-3-7-17(14-18)27-16-6-2-5-15(13-16)19-11-12-24-22-20(19)9-4-10-21(22)23/h2-14H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 129n/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: 209-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.132
BindingDB Entry DOI: 10.7270/Q2KW5G4B
More data for this
Ligand-Target Pair