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BDBM50306060 1-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-2-methyl-4-(trifluoromethyl)-1H-benzo[d]imidazole::CHEMBL594050

SMILES: CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1

InChI Key: InChIKey=ZMLDZMJEIPYMEJ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50306060   
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))
BDBM50306060
PNG
(1-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-2-methy...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C24H21F3N2O3S/c1-15(2)33(30,31)20-10-5-9-19(14-20)32-18-8-4-7-17(13-18)29-16(3)28-23-21(24(25,26)27)11-6-12-22(23)29/h4-15H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.40n/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306060
PNG
(1-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-2-methy...)
Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-n2c(C)nc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C24H21F3N2O3S/c1-15(2)33(30,31)20-10-5-9-19(14-20)32-18-8-4-7-17(13-18)29-16(3)28-23-21(24(25,26)27)11-6-12-22(23)29/h4-15H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 248n/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: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair