BDBM50005479 CHEMBL3234249::SAVIPRAZOLE

SMILES: CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1

InChI Key: InChIKey=OSEKJLPRHACLQL-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50005479   

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))	BDBM50005479 (CHEMBL3234249 | SAVIPRAZOLE) Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1 Show InChI InChI=1S/C24H25N3O5S/c1-5-27-19-12-13-20(17-10-7-11-18(21(17)19)22(27)28)33(30,31)26-16-9-6-8-15(14-16)25-23(29)32-24(2,3)4/h6-14,26H,5H2,1-4H3,(H,25,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay				Eur J Med Chem 78: 431-41 (2014) Article DOI: 10.1016/j.ejmech.2014.03.065 BindingDB Entry DOI: 10.7270/Q2W66N9X
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50005479 (CHEMBL3234249 | SAVIPRAZOLE) Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1 Show InChI InChI=1S/C24H25N3O5S/c1-5-27-19-12-13-20(17-10-7-11-18(21(17)19)22(27)28)33(30,31)26-16-9-6-8-15(14-16)25-23(29)32-24(2,3)4/h6-14,26H,5H2,1-4H3,(H,25,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to 507 aa) assessed as inhibition of SRC1-4 co-activator peptide recruit...				Eur J Med Chem 78: 431-41 (2014) Article DOI: 10.1016/j.ejmech.2014.03.065 BindingDB Entry DOI: 10.7270/Q2W66N9X
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50005479 (CHEMBL3234249 | SAVIPRAZOLE) Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1 Show InChI InChI=1S/C24H25N3O5S/c1-5-27-19-12-13-20(17-10-7-11-18(21(17)19)22(27)28)33(30,31)26-16-9-6-8-15(14-16)25-23(29)32-24(2,3)4/h6-14,26H,5H2,1-4H3,(H,25,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assay				Eur J Med Chem 78: 431-41 (2014) Article DOI: 10.1016/j.ejmech.2014.03.065 BindingDB Entry DOI: 10.7270/Q2W66N9X
					More data for this Ligand-Target Pair