BDBM50378594 CHEMBL608531

SMILES: CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(cccn23)C(F)(F)F)-n2ccnc2)c1

InChI Key: InChIKey=GRHBEGZXUDYQLG-UHFFFAOYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 50378594   

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-beta (Homo sapiens (Human))	BDBM50378594 (CHEMBL608531) Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(cccn23)C(F)(F)F)-n2ccnc2)c1 Show InChI InChI=1S/C24H17F3N4O3S/c1-35(32,33)19-8-3-7-18(14-19)34-17-6-2-5-16(13-17)21-23(30-12-10-28-15-30)29-22-20(24(25,26)27)9-4-11-31(21)22/h2-15H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human Gal4-LBD fused LXRbeta LBD expressed in Huh7 cells by transient transactivation assay				Bioorg Med Chem Lett 20: 521-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.098 BindingDB Entry DOI: 10.7270/Q27D2W3S
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50378594 (CHEMBL608531) Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(cccn23)C(F)(F)F)-n2ccnc2)c1 Show InChI InChI=1S/C24H17F3N4O3S/c1-35(32,33)19-8-3-7-18(14-19)34-17-6-2-5-16(13-17)21-23(30-12-10-28-15-30)29-22-20(24(25,26)27)9-4-11-31(21)22/h2-15H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	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: 521-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.098 BindingDB Entry DOI: 10.7270/Q27D2W3S
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50378594 (CHEMBL608531) Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(cccn23)C(F)(F)F)-n2ccnc2)c1 Show InChI InChI=1S/C24H17F3N4O3S/c1-35(32,33)19-8-3-7-18(14-19)34-17-6-2-5-16(13-17)21-23(30-12-10-28-15-30)29-22-20(24(25,26)27)9-4-11-31(21)22/h2-15H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	365	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: 521-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.098 BindingDB Entry DOI: 10.7270/Q27D2W3S
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50378594 (CHEMBL608531) Show SMILES CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2c(nc3c(cccn23)C(F)(F)F)-n2ccnc2)c1 Show InChI InChI=1S/C24H17F3N4O3S/c1-35(32,33)19-8-3-7-18(14-19)34-17-6-2-5-16(13-17)21-23(30-12-10-28-15-30)29-22-20(24(25,26)27)9-4-11-31(21)22/h2-15H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	850	n/a	n/a	n/a	n/a
Wyeth Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human Gal4-LBD fused LXRalpha LBD expressed in Huh7 cells by transient transactivation assay				Bioorg Med Chem Lett 20: 521-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.098 BindingDB Entry DOI: 10.7270/Q27D2W3S
					More data for this Ligand-Target Pair