BindingDB PrimarySearch

BDBM20000 2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxymethyl}phenyl)acetic acid::CHEMBL214719::JMC496151 Compound 15::WAY-254011

SMILES: OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1

InChI Key: InChIKey=VXHRQVMQVYQGQG-UHFFFAOYSA-N

Data: 12 IC50 11 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 20000
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Liver X Receptor alpha (LXR-alpha) (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	7.4	4
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				J Med Chem 49: 6151-4 (2006) Article DOI: 10.1021/jm0609566 BindingDB Entry DOI: 10.7270/Q20863KH
Wyeth Research					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at human LXRalpha ligand binding domain (205-448) expressed in human HuH7 cells cotransfected with Gal4-DBD by luciferase transactiv...				Bioorg Med Chem 17: 3519-27 (2009) Article DOI: 10.1016/j.bmc.2009.04.012 BindingDB Entry DOI: 10.7270/Q2T72HH5
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Liver X Receptor beta (LXR-beta) (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	90	n/a	n/a	7.4	4
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				J Med Chem 51: 7161-8 (2008) Article DOI: 10.1021/jm800799q BindingDB Entry DOI: 10.7270/Q2XW4H4G
Wyeth Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Liver X Receptor alpha (LXR-alpha) (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	240	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				J Med Chem 51: 7161-8 (2008) Article DOI: 10.1021/jm800799q BindingDB Entry DOI: 10.7270/Q2XW4H4G
Wyeth Research					More data for this Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha) (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXRalpha coated flash plates. Each concentration of...				Bioorg Med Chem 17: 8086-92 (2009) Article DOI: 10.1016/j.bmc.2009.10.001 BindingDB Entry DOI: 10.7270/Q2VH5M54
Wyeth Research					More data for this Ligand-Target Pair
Liver X Receptor beta (LXR-beta) (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10	n/a	93	n/a	n/a	7.4	4
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				Bioorg Med Chem 17: 1663-70 (2009) Article DOI: 10.1016/j.bmc.2008.12.048 BindingDB Entry DOI: 10.7270/Q2QR4VGV
Wyeth Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Liver X Receptor alpha (LXR-alpha) (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.5	n/a	238	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				Bioorg Med Chem 17: 1663-70 (2009) Article DOI: 10.1016/j.bmc.2008.12.048 BindingDB Entry DOI: 10.7270/Q2QR4VGV
Wyeth Research					More data for this Ligand-Target Pair
Liver X Receptor beta (LXR-beta) (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10	n/a	71	n/a	n/a	7.4	4
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXRbeta coated flash plates. Each concentration of ...				Bioorg Med Chem 17: 8086-92 (2009) Article DOI: 10.1016/j.bmc.2009.10.001 BindingDB Entry DOI: 10.7270/Q2VH5M54
Wyeth Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at human LXRbeta				Bioorg Med Chem Lett 18: 54-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.013 BindingDB Entry DOI: 10.7270/Q2N879JT
Wyeth Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human LXRbeta expressed in Huh7 cells by Gal4 transactivation assay				Bioorg Med Chem Lett 18: 54-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.013 BindingDB Entry DOI: 10.7270/Q2N879JT
Wyeth Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human LXRalpha expressed in Huh7 cells by Gal4 transactivation assay				Bioorg Med Chem Lett 18: 54-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.013 BindingDB Entry DOI: 10.7270/Q2N879JT
Wyeth Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]T0901317 from human recombinant N-terminal biotinylated tagged LXRbeta ligand binding domain (154-461) expressed in Escherichia c...				Bioorg Med Chem 17: 3519-27 (2009) Article DOI: 10.1016/j.bmc.2009.04.012 BindingDB Entry DOI: 10.7270/Q2T72HH5
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]T0901317 from human recombinant N-terminal biotinylated tagged LXRalpha ligand binding domain (197-447) expressed in Escherichia ...				Bioorg Med Chem 17: 3519-27 (2009) Article DOI: 10.1016/j.bmc.2009.04.012 BindingDB Entry DOI: 10.7270/Q2T72HH5
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at human LXRbeta ligand binding domain (219-462) expressed in human HuH7 cells cotransfected with Gal4-DBD by luciferase transactiva...				Bioorg Med Chem 17: 3519-27 (2009) Article DOI: 10.1016/j.bmc.2009.04.012 BindingDB Entry DOI: 10.7270/Q2T72HH5
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at human LXRalpha				Bioorg Med Chem Lett 18: 54-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.013 BindingDB Entry DOI: 10.7270/Q2N879JT
Wyeth Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	680	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human recombinant PPARgamma				Bioorg Med Chem Lett 18: 54-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.013 BindingDB Entry DOI: 10.7270/Q2N879JT
Wyeth Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Liver X Receptor beta (LXR-beta) (Homo sapiens (Human))	BDBM20000 (2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10	n/a	71	n/a	n/a	7.4	4
Wyeth Research					Assay Description Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...				J Med Chem 49: 6151-4 (2006) Article DOI: 10.1021/jm0609566 BindingDB Entry DOI: 10.7270/Q20863KH
Wyeth Research					More data for this Ligand-Target Pair				3D Structure (crystal)