BDBM50305068 4-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-3-methyl-8-(trifluoromethyl)quinoline::CHEMBL595113

SMILES: CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1

InChI Key: InChIKey=YYDPUXBLDMRZQE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50305068   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50305068 (4-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-3-methy...) Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1 Show InChI InChI=1S/C26H22F3NO3S/c1-16(2)34(31,32)21-10-5-9-20(14-21)33-19-8-4-7-18(13-19)24-17(3)15-30-25-22(24)11-6-12-23(25)26(27,28)29/h4-16H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/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
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50305068 (4-(3-(3-(isopropylsulfonyl)phenoxy)phenyl)-3-methy...) Show SMILES CC(C)S(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1 Show InChI InChI=1S/C26H22F3NO3S/c1-16(2)34(31,32)21-10-5-9-20(14-21)33-19-8-4-7-18(13-19)24-17(3)15-30-25-22(24)11-6-12-23(25)26(27,28)29/h4-16H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/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