null

SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cc(cnc2OCC(F)(F)F)C#N)cc1

InChI Key: InChIKey=WRBTZUDQYOBYPO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50369033   

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 (Homo sapiens (Human))	BDBM50369033 (CHEMBL4167096) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cc(cnc2OCC(F)(F)F)C#N)cc1 Show InChI InChI=1S/C22H18F3N3O4S2/c1-2-34(30,31)17-5-3-14(4-6-17)8-19(29)28-20-9-16(12-33-20)18-7-15(10-26)11-27-21(18)32-13-22(23,24)25/h3-7,9,11-12H,2,8,13H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human TH17 cells assessed as inhibition of IL17 release incubated for 4 days by HTRF assay				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50369033 (CHEMBL4167096) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cc(cnc2OCC(F)(F)F)C#N)cc1 Show InChI InChI=1S/C22H18F3N3O4S2/c1-2-34(30,31)17-5-3-14(4-6-17)8-19(29)28-20-9-16(12-33-20)18-7-15(10-26)11-27-21(18)32-13-22(23,24)25/h3-7,9,11-12H,2,8,13H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-2-(4-(ethylsulfonyl)phenyl)-N-(4-(2-(methoxymethyl)phenyl)thiophen-2-yl)acetamide from purified N-(HN)6-GST-TCS-human RORgammat ...				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM50369033 (CHEMBL4167096) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cc(cnc2OCC(F)(F)F)C#N)cc1 Show InChI InChI=1S/C22H18F3N3O4S2/c1-2-34(30,31)17-5-3-14(4-6-17)8-19(29)28-20-9-16(12-33-20)18-7-15(10-26)11-27-21(18)32-13-22(23,24)25/h3-7,9,11-12H,2,8,13H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inverse agonist activity at His6-tcs-human RORalpha LBD assessed as inhibition of biotinylated PGC1alpha (130 to 154 residues) peptide recruitment in...				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM50369033 (CHEMBL4167096) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cc(cnc2OCC(F)(F)F)C#N)cc1 Show InChI InChI=1S/C22H18F3N3O4S2/c1-2-34(30,31)17-5-3-14(4-6-17)8-19(29)28-20-9-16(12-33-20)18-7-15(10-26)11-27-21(18)32-13-22(23,24)25/h3-7,9,11-12H,2,8,13H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Agonist activity at His6-tcs-human RORalpha LBD assessed as stimulation of biotinylated PGC1alpha (130 to 154 residues) peptide recruitment incubated...				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50369033 (CHEMBL4167096) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cc(cnc2OCC(F)(F)F)C#N)cc1 Show InChI InChI=1S/C22H18F3N3O4S2/c1-2-34(30,31)17-5-3-14(4-6-17)8-19(29)28-20-9-16(12-33-20)18-7-15(10-26)11-27-21(18)32-13-22(23,24)25/h3-7,9,11-12H,2,8,13H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inverse agonist activity at biotinylated HN-Avi-MBP-TCS-human RORgammat (258 to 518 residues) assessed as inhibition of biotinylated SRC-1 peptide NC...				J Med Chem 61: 7796-7813 (2018) Article DOI: 10.1021/acs.jmedchem.8b00783 BindingDB Entry DOI: 10.7270/Q23R0WFQ
					More data for this Ligand-Target Pair