BDBM50177013 CHEMBL3814372

SMILES: CS(=O)(=O)c1cccc(c1)N1CCN(Cc2ccc(nc2)C(F)(F)F)C(C1)c1ccccc1

InChI Key: InChIKey=CTCGRQVHZGKQJF-UHFFFAOYSA-N

Data: 6 KI  6 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 12 hits for monomerid = 50177013   

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))	BDBM50177013 (CHEMBL3814372) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(Cc2ccc(nc2)C(F)(F)F)C(C1)c1ccccc1 Show InChI InChI=1S/C24H24F3N3O2S/c1-33(31,32)21-9-5-8-20(14-21)29-12-13-30(22(17-29)19-6-3-2-4-7-19)16-18-10-11-23(28-15-18)24(25,26)27/h2-11,14-15,22H,12-13,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]TO901317 from LXRbeta ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50177013 (CHEMBL3814372) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(Cc2ccc(nc2)C(F)(F)F)C(C1)c1ccccc1 Show InChI InChI=1S/C24H24F3N3O2S/c1-33(31,32)21-9-5-8-20(14-21)29-12-13-30(22(17-29)19-6-3-2-4-7-19)16-18-10-11-23(28-15-18)24(25,26)27/h2-11,14-15,22H,12-13,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]TO901317 from LXRbeta ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50177013 (CHEMBL3814372) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(Cc2ccc(nc2)C(F)(F)F)C(C1)c1ccccc1 Show InChI InChI=1S/C24H24F3N3O2S/c1-33(31,32)21-9-5-8-20(14-21)29-12-13-30(22(17-29)19-6-3-2-4-7-19)16-18-10-11-23(28-15-18)24(25,26)27/h2-11,14-15,22H,12-13,16-17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]TO901317 from LXRalpha ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50177013 (CHEMBL3814372) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(Cc2ccc(nc2)C(F)(F)F)C(C1)c1ccccc1 Show InChI InChI=1S/C24H24F3N3O2S/c1-33(31,32)21-9-5-8-20(14-21)29-12-13-30(22(17-29)19-6-3-2-4-7-19)16-18-10-11-23(28-15-18)24(25,26)27/h2-11,14-15,22H,12-13,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]TO901317 from LXRbeta ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50177013 (CHEMBL3814372) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(Cc2ccc(nc2)C(F)(F)F)C(C1)c1ccccc1 Show InChI InChI=1S/C24H24F3N3O2S/c1-33(31,32)21-9-5-8-20(14-21)29-12-13-30(22(17-29)19-6-3-2-4-7-19)16-18-10-11-23(28-15-18)24(25,26)27/h2-11,14-15,22H,12-13,16-17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]TO901317 from LXRalpha ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50177013 (CHEMBL3814372) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(Cc2ccc(nc2)C(F)(F)F)C(C1)c1ccccc1 Show InChI InChI=1S/C24H24F3N3O2S/c1-33(31,32)21-9-5-8-20(14-21)29-12-13-30(22(17-29)19-6-3-2-4-7-19)16-18-10-11-23(28-15-18)24(25,26)27/h2-11,14-15,22H,12-13,16-17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]TO901317 from LXRalpha ligand binding domain (unknown origin) after 30 mins by liquid scintillation counting				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50177013 (CHEMBL3814372) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(Cc2ccc(nc2)C(F)(F)F)C(C1)c1ccccc1 Show InChI InChI=1S/C24H24F3N3O2S/c1-33(31,32)21-9-5-8-20(14-21)29-12-13-30(22(17-29)19-6-3-2-4-7-19)16-18-10-11-23(28-15-18)24(25,26)27/h2-11,14-15,22H,12-13,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human LXRbeta ligand binding domain(155 to 460 residues) transfected in HEK293 cells after 16 hrs by Gal4-luciferase reporter gen...				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50177013 (CHEMBL3814372) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(Cc2ccc(nc2)C(F)(F)F)C(C1)c1ccccc1 Show InChI InChI=1S/C24H24F3N3O2S/c1-33(31,32)21-9-5-8-20(14-21)29-12-13-30(22(17-29)19-6-3-2-4-7-19)16-18-10-11-23(28-15-18)24(25,26)27/h2-11,14-15,22H,12-13,16-17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.38E+3	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human LXRalpha ligand binding domain(167 to 447 residues) transfected in HEK293 cells after 16 hrs by Gal4-luciferase reporter ge...				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50177013 (CHEMBL3814372) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(Cc2ccc(nc2)C(F)(F)F)C(C1)c1ccccc1 Show InChI InChI=1S/C24H24F3N3O2S/c1-33(31,32)21-9-5-8-20(14-21)29-12-13-30(22(17-29)19-6-3-2-4-7-19)16-18-10-11-23(28-15-18)24(25,26)27/h2-11,14-15,22H,12-13,16-17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human LXRalpha ligand binding domain(167 to 447 residues) transfected in HEK293 cells after 16 hrs by Gal4-luciferase reporter ge...				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50177013 (CHEMBL3814372) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(Cc2ccc(nc2)C(F)(F)F)C(C1)c1ccccc1 Show InChI InChI=1S/C24H24F3N3O2S/c1-33(31,32)21-9-5-8-20(14-21)29-12-13-30(22(17-29)19-6-3-2-4-7-19)16-18-10-11-23(28-15-18)24(25,26)27/h2-11,14-15,22H,12-13,16-17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human LXRalpha ligand binding domain(167 to 447 residues) transfected in HEK293 cells after 16 hrs by Gal4-luciferase reporter ge...				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50177013 (CHEMBL3814372) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(Cc2ccc(nc2)C(F)(F)F)C(C1)c1ccccc1 Show InChI InChI=1S/C24H24F3N3O2S/c1-33(31,32)21-9-5-8-20(14-21)29-12-13-30(22(17-29)19-6-3-2-4-7-19)16-18-10-11-23(28-15-18)24(25,26)27/h2-11,14-15,22H,12-13,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human LXRbeta ligand binding domain(155 to 460 residues) transfected in HEK293 cells after 16 hrs by Gal4-luciferase reporter gen...				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50177013 (CHEMBL3814372) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(Cc2ccc(nc2)C(F)(F)F)C(C1)c1ccccc1 Show InChI InChI=1S/C24H24F3N3O2S/c1-33(31,32)21-9-5-8-20(14-21)29-12-13-30(22(17-29)19-6-3-2-4-7-19)16-18-10-11-23(28-15-18)24(25,26)27/h2-11,14-15,22H,12-13,16-17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	990	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human LXRbeta ligand binding domain(155 to 460 residues) transfected in HEK293 cells after 16 hrs by Gal4-luciferase reporter gen...				J Med Chem 59: 3264-71 (2016) BindingDB Entry DOI: 10.7270/Q2XP76V7
					More data for this Ligand-Target Pair