BDBM50426729 CHEMBL2326845

SMILES: CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=IVNRPSKTRKQRGY-UHFFFAOYSA-N

Data: 1 IC50  10 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 11 hits for monomerid = 50426729   

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))	BDBM50426729 (CHEMBL2326845) Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Binding affinity to LXRbeta (unknown origin)				Bioorg Med Chem Lett 23: 579-83 (2012) Article DOI: 10.1016/j.bmcl.2012.11.012 BindingDB Entry DOI: 10.7270/Q2P270GF
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50426729 (CHEMBL2326845) Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...				Bioorg Med Chem Lett 23: 6604-9 (2013) Article DOI: 10.1016/j.bmcl.2013.10.054 BindingDB Entry DOI: 10.7270/Q2474CBT
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50426729 (CHEMBL2326845) Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...				Bioorg Med Chem Lett 23: 6604-9 (2013) Article DOI: 10.1016/j.bmcl.2013.10.054 BindingDB Entry DOI: 10.7270/Q2474CBT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50426729 (CHEMBL2326845) Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...				Bioorg Med Chem Lett 23: 6604-9 (2013) Article DOI: 10.1016/j.bmcl.2013.10.054 BindingDB Entry DOI: 10.7270/Q2474CBT
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50426729 (CHEMBL2326845) Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	246	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused human LXRbeta expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual...				Bioorg Med Chem Lett 23: 6604-9 (2013) Article DOI: 10.1016/j.bmcl.2013.10.054 BindingDB Entry DOI: 10.7270/Q2474CBT
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50426729 (CHEMBL2326845) Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Binding affinity to LXRalpha (unknown origin)				Bioorg Med Chem Lett 23: 579-83 (2012) Article DOI: 10.1016/j.bmcl.2012.11.012 BindingDB Entry DOI: 10.7270/Q2P270GF
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50426729 (CHEMBL2326845) Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...				Bioorg Med Chem Lett 23: 6604-9 (2013) Article DOI: 10.1016/j.bmcl.2013.10.054 BindingDB Entry DOI: 10.7270/Q2474CBT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM50426729 (CHEMBL2326845) Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...				Bioorg Med Chem Lett 23: 6604-9 (2013) Article DOI: 10.1016/j.bmcl.2013.10.054 BindingDB Entry DOI: 10.7270/Q2474CBT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-beta (Homo sapiens (Human))	BDBM50426729 (CHEMBL2326845) Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...				Bioorg Med Chem Lett 23: 6604-9 (2013) Article DOI: 10.1016/j.bmcl.2013.10.054 BindingDB Entry DOI: 10.7270/Q2474CBT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50426729 (CHEMBL2326845) Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	593	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...				Bioorg Med Chem Lett 23: 6604-9 (2013) Article DOI: 10.1016/j.bmcl.2013.10.054 BindingDB Entry DOI: 10.7270/Q2474CBT
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50426729 (CHEMBL2326845) Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dua...				Bioorg Med Chem Lett 23: 6604-9 (2013) Article DOI: 10.1016/j.bmcl.2013.10.054 BindingDB Entry DOI: 10.7270/Q2474CBT
					More data for this Ligand-Target Pair