BDBM20015 2-[4-({[3-(3-benzyl-8-chloroquinolin-4-yl)phenyl]amino}methyl)phenyl]acetic acid::phenyl acetic acid based quinoline, 27

SMILES: OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(Cl)cccc23)cc1

InChI Key: InChIKey=MFLGRDLZNMSORM-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 = 20015   

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))	BDBM20015 (2-[4-({[3-(3-benzyl-8-chloroquinolin-4-yl)phenyl]a...) Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(Cl)cccc23)cc1 Show InChI InChI=1S/C31H25ClN2O2/c32-28-11-5-10-27-30(25(20-34-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)33-19-23-14-12-22(13-15-23)17-29(35)36/h1-15,18,20,33H,16-17,19H2,(H,35,36)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	23	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))	BDBM20015 (2-[4-({[3-(3-benzyl-8-chloroquinolin-4-yl)phenyl]a...) Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(Cl)cccc23)cc1 Show InChI InChI=1S/C31H25ClN2O2/c32-28-11-5-10-27-30(25(20-34-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)33-19-23-14-12-22(13-15-23)17-29(35)36/h1-15,18,20,33H,16-17,19H2,(H,35,36)	PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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...				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