BDBM50035915 CHEMBL3361058

SMILES: CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1

InChI Key: InChIKey=OEVBZJRMGQUWSV-UHFFFAOYSA-N

Data: 1 IC50  8 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 9 hits for monomerid = 50035915   

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
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50035915 (CHEMBL3361058) Show SMILES CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-18(23)5-7-19)32(28,29)22-10-8-20(9-11-22)30-21-12-14-24(15-13-21)31(3,26)27/h4-11,17,21H,12-16H2,1-3H3	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	22	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain expressed in bacterial expression system assessed as inhibition ...				Bioorg Med Chem Lett 24: 5769-76 (2014) Article DOI: 10.1016/j.bmcl.2014.10.037 BindingDB Entry DOI: 10.7270/Q2125V8F
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50035915 (CHEMBL3361058) Show SMILES CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-18(23)5-7-19)32(28,29)22-10-8-20(9-11-22)30-21-12-14-24(15-13-21)31(3,26)27/h4-11,17,21H,12-16H2,1-3H3	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	19	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. 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 24: 5769-76 (2014) Article DOI: 10.1016/j.bmcl.2014.10.037 BindingDB Entry DOI: 10.7270/Q2125V8F
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM50035915 (CHEMBL3361058) Show SMILES CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-18(23)5-7-19)32(28,29)22-10-8-20(9-11-22)30-21-12-14-24(15-13-21)31(3,26)27/h4-11,17,21H,12-16H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. 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 24: 5769-76 (2014) Article DOI: 10.1016/j.bmcl.2014.10.037 BindingDB Entry DOI: 10.7270/Q2125V8F
					More data for this Ligand-Target Pair
Nuclear receptor ROR-beta (Homo sapiens (Human))	BDBM50035915 (CHEMBL3361058) Show SMILES CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-18(23)5-7-19)32(28,29)22-10-8-20(9-11-22)30-21-12-14-24(15-13-21)31(3,26)27/h4-11,17,21H,12-16H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. 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 24: 5769-76 (2014) Article DOI: 10.1016/j.bmcl.2014.10.037 BindingDB Entry DOI: 10.7270/Q2125V8F
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50035915 (CHEMBL3361058) Show SMILES CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-18(23)5-7-19)32(28,29)22-10-8-20(9-11-22)30-21-12-14-24(15-13-21)31(3,26)27/h4-11,17,21H,12-16H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysis				Bioorg Med Chem Lett 24: 5769-76 (2014) Article DOI: 10.1016/j.bmcl.2014.10.037 BindingDB Entry DOI: 10.7270/Q2125V8F
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM50035915 (CHEMBL3361058) Show SMILES CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-18(23)5-7-19)32(28,29)22-10-8-20(9-11-22)30-21-12-14-24(15-13-21)31(3,26)27/h4-11,17,21H,12-16H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hr...				Bioorg Med Chem Lett 24: 5769-76 (2014) Article DOI: 10.1016/j.bmcl.2014.10.037 BindingDB Entry DOI: 10.7270/Q2125V8F
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM50035915 (CHEMBL3361058) Show SMILES CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-18(23)5-7-19)32(28,29)22-10-8-20(9-11-22)30-21-12-14-24(15-13-21)31(3,26)27/h4-11,17,21H,12-16H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-fused human LXRbeta expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs...				Bioorg Med Chem Lett 24: 5769-76 (2014) Article DOI: 10.1016/j.bmcl.2014.10.037 BindingDB Entry DOI: 10.7270/Q2125V8F
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50035915 (CHEMBL3361058) Show SMILES CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-18(23)5-7-19)32(28,29)22-10-8-20(9-11-22)30-21-12-14-24(15-13-21)31(3,26)27/h4-11,17,21H,12-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by ...				Bioorg Med Chem Lett 24: 5769-76 (2014) Article DOI: 10.1016/j.bmcl.2014.10.037 BindingDB Entry DOI: 10.7270/Q2125V8F
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50035915 (CHEMBL3361058) Show SMILES CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-18(23)5-7-19)32(28,29)22-10-8-20(9-11-22)30-21-12-14-24(15-13-21)31(3,26)27/h4-11,17,21H,12-16H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by ...				Bioorg Med Chem Lett 24: 5769-76 (2014) Article DOI: 10.1016/j.bmcl.2014.10.037 BindingDB Entry DOI: 10.7270/Q2125V8F
					More data for this Ligand-Target Pair