BDBM20017 2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenoxy}acetic acid::phenyl acetic acid based quinoline, 29

SMILES: OC(=O)COc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1

InChI Key: InChIKey=NXWUKMWXYWOKJK-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 20017   

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
Liver X Receptor beta (LXR-beta) (Homo sapiens (Human))	BDBM20017 (2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...) Show SMILES OC(=O)COc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C32H23F3N2O4/c33-32(34,35)27-11-5-10-25-29(26(18-37-30(25)27)31(40)21-6-2-1-3-7-21)22-8-4-9-23(16-22)36-17-20-12-14-24(15-13-20)41-19-28(38)39/h1-16,18,36H,17,19H2,(H,38,39)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	1.27E+3	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 15: 3321-33 (2007) Article DOI: 10.1016/j.bmc.2007.03.013 BindingDB Entry DOI: 10.7270/Q2VH5M37
					More data for this Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha) (Homo sapiens (Human))	BDBM20017 (2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...) Show SMILES OC(=O)COc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C32H23F3N2O4/c33-32(34,35)27-11-5-10-25-29(26(18-37-30(25)27)31(40)21-6-2-1-3-7-21)22-8-4-9-23(16-22)36-17-20-12-14-24(15-13-20)41-19-28(38)39/h1-16,18,36H,17,19H2,(H,38,39)	PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63.9	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...				Bioorg Med Chem 15: 3321-33 (2007) Article DOI: 10.1016/j.bmc.2007.03.013 BindingDB Entry DOI: 10.7270/Q2VH5M37
					More data for this Ligand-Target Pair