BDBM50452788 CHEMBL4206412

SMILES: CC1(C)CCN(c2ccc(cc12)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=IFPBFPWEKKDYCO-UHFFFAOYSA-N

Data: 4 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 = 50452788   

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))	BDBM50452788 (CHEMBL4206412) Show SMILES CC1(C)CCN(c2ccc(cc12)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C20H18F7NO3S/c1-17(2)9-10-28(32(30,31)14-6-4-13(21)5-7-14)16-8-3-12(11-15(16)17)18(29,19(22,23)24)20(25,26)27/h3-8,11,29H,9-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human LXRalpha assessed as receptor activation expressed in African green monkey CV1 cells by luciferase reporter gen...				Bioorg Med Chem Lett 28: 85-93 (2018) Article DOI: 10.1016/j.bmcl.2017.12.006 BindingDB Entry DOI: 10.7270/Q2862K0Z
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50452788 (CHEMBL4206412) Show SMILES CC1(C)CCN(c2ccc(cc12)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C20H18F7NO3S/c1-17(2)9-10-28(32(30,31)14-6-4-13(21)5-7-14)16-8-3-12(11-15(16)17)18(29,19(22,23)24)20(25,26)27/h3-8,11,29H,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human LXRbeta assessed as receptor activation expressed in African green monkey CV1 cells by luciferase reporter gene...				Bioorg Med Chem Lett 28: 85-93 (2018) Article DOI: 10.1016/j.bmcl.2017.12.006 BindingDB Entry DOI: 10.7270/Q2862K0Z
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50452788 (CHEMBL4206412) Show SMILES CC1(C)CCN(c2ccc(cc12)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C20H18F7NO3S/c1-17(2)9-10-28(32(30,31)14-6-4-13(21)5-7-14)16-8-3-12(11-15(16)17)18(29,19(22,23)24)20(25,26)27/h3-8,11,29H,9-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Transactivation of PXR in human HepG2 cells by receptor transactivation assay				Bioorg Med Chem Lett 28: 85-93 (2018) Article DOI: 10.1016/j.bmcl.2017.12.006 BindingDB Entry DOI: 10.7270/Q2862K0Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50452788 (CHEMBL4206412) Show SMILES CC1(C)CCN(c2ccc(cc12)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C20H18F7NO3S/c1-17(2)9-10-28(32(30,31)14-6-4-13(21)5-7-14)16-8-3-12(11-15(16)17)18(29,19(22,23)24)20(25,26)27/h3-8,11,29H,9-10H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	815	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inverse agonist activity at Gal4-tagged human RORgammat ligand binding domain expressed in human Jurkat cells by native IL17 promoter driven lucifera...				Bioorg Med Chem Lett 28: 85-93 (2018) Article DOI: 10.1016/j.bmcl.2017.12.006 BindingDB Entry DOI: 10.7270/Q2862K0Z
					More data for this Ligand-Target Pair