BDBM50465712 CHEMBL4284414

SMILES: CCOC(=O)c1ccc(CN(Cc2ccc(cc2)-c2cccc(c2)S(C)(=O)=O)S(=O)(=O)c2c(C)cc(C)cc2C)o1

InChI Key: InChIKey=HDZWHJYZJWLTAG-UHFFFAOYSA-N

Data: 1 KI  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 5 hits for monomerid = 50465712   

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))	BDBM50465712 (CHEMBL4284414) Show SMILES CCOC(=O)c1ccc(CN(Cc2ccc(cc2)-c2cccc(c2)S(C)(=O)=O)S(=O)(=O)c2c(C)cc(C)cc2C)o1 Show InChI InChI=1S/C31H33NO7S2/c1-6-38-31(33)29-15-14-27(39-29)20-32(41(36,37)30-22(3)16-21(2)17-23(30)4)19-24-10-12-25(13-11-24)26-8-7-9-28(18-26)40(5,34)35/h7-18H,6,19-20H2,1-5H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	352	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Binding affinity to recombinant human LXRbeta-LBD expressed in Escherichia coli BL21 (DE3) assessed as inhibitory constant incubated for 30 mins by f...				Eur J Med Chem 178: 458-467 (2019) Article DOI: 10.1016/j.ejmech.2019.06.011
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50465712 (CHEMBL4284414) Show SMILES CCOC(=O)c1ccc(CN(Cc2ccc(cc2)-c2cccc(c2)S(C)(=O)=O)S(=O)(=O)c2c(C)cc(C)cc2C)o1 Show InChI InChI=1S/C31H33NO7S2/c1-6-38-31(33)29-15-14-27(39-29)20-32(41(36,37)30-22(3)16-21(2)17-23(30)4)19-24-10-12-25(13-11-24)26-8-7-9-28(18-26)40(5,34)35/h7-18H,6,19-20H2,1-5H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University School of Medicine Curated by ChEMBL					Assay Description Inverse agonist activity at LXRbeta (unknown origin) expressed in HEK293 cells 24 hrs by Dual-Glo luciferase assay				J Med Chem 61: 10935-10956 (2018) Article DOI: 10.1021/acs.jmedchem.8b00045 BindingDB Entry DOI: 10.7270/Q2SX6GX7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50465712 (CHEMBL4284414) Show SMILES CCOC(=O)c1ccc(CN(Cc2ccc(cc2)-c2cccc(c2)S(C)(=O)=O)S(=O)(=O)c2c(C)cc(C)cc2C)o1 Show InChI InChI=1S/C31H33NO7S2/c1-6-38-31(33)29-15-14-27(39-29)20-32(41(36,37)30-22(3)16-21(2)17-23(30)4)19-24-10-12-25(13-11-24)26-8-7-9-28(18-26)40(5,34)35/h7-18H,6,19-20H2,1-5H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50465712 (CHEMBL4284414) Show SMILES CCOC(=O)c1ccc(CN(Cc2ccc(cc2)-c2cccc(c2)S(C)(=O)=O)S(=O)(=O)c2c(C)cc(C)cc2C)o1 Show InChI InChI=1S/C31H33NO7S2/c1-6-38-31(33)29-15-14-27(39-29)20-32(41(36,37)30-22(3)16-21(2)17-23(30)4)19-24-10-12-25(13-11-24)26-8-7-9-28(18-26)40(5,34)35/h7-18H,6,19-20H2,1-5H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50465712 (CHEMBL4284414) Show SMILES CCOC(=O)c1ccc(CN(Cc2ccc(cc2)-c2cccc(c2)S(C)(=O)=O)S(=O)(=O)c2c(C)cc(C)cc2C)o1 Show InChI InChI=1S/C31H33NO7S2/c1-6-38-31(33)29-15-14-27(39-29)20-32(41(36,37)30-22(3)16-21(2)17-23(30)4)19-24-10-12-25(13-11-24)26-8-7-9-28(18-26)40(5,34)35/h7-18H,6,19-20H2,1-5H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
Saint Louis University School of Medicine Curated by ChEMBL					Assay Description Inverse agonist activity at LXRalpha (unknown origin) expressed in HEK293 cells 24 hrs by Dual-Glo luciferase assay				J Med Chem 61: 10935-10956 (2018) Article DOI: 10.1021/acs.jmedchem.8b00045 BindingDB Entry DOI: 10.7270/Q2SX6GX7
					More data for this Ligand-Target Pair