BDBM50005412 CHEMBL138563::CHEMBL3234025

SMILES: CCOc1ccc2nc(NS(=O)(=O)c3ccc4N(CC)C(=O)c5cccc3c45)sc2c1

InChI Key: InChIKey=UVWMXCVDTUHBFA-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 = 50005412   

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))	BDBM50005412 (CHEMBL138563 | CHEMBL3234025) Show SMILES CCOc1ccc2nc(NS(=O)(=O)c3ccc4N(CC)C(=O)c5cccc3c45)sc2c1 Show InChI InChI=1S/C22H19N3O4S2/c1-3-25-17-10-11-19(14-6-5-7-15(20(14)17)21(25)26)31(27,28)24-22-23-16-9-8-13(29-4-2)12-18(16)30-22/h5-12H,3-4H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	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))	BDBM50005412 (CHEMBL138563 | CHEMBL3234025) Show SMILES CCOc1ccc2nc(NS(=O)(=O)c3ccc4N(CC)C(=O)c5cccc3c45)sc2c1 Show InChI InChI=1S/C22H19N3O4S2/c1-3-25-17-10-11-19(14-6-5-7-15(20(14)17)21(25)26)31(27,28)24-22-23-16-9-8-13(29-4-2)12-18(16)30-22/h5-12H,3-4H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.72E+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))	BDBM50005412 (CHEMBL138563 | CHEMBL3234025) Show SMILES CCOc1ccc2nc(NS(=O)(=O)c3ccc4N(CC)C(=O)c5cccc3c45)sc2c1 Show InChI InChI=1S/C22H19N3O4S2/c1-3-25-17-10-11-19(14-6-5-7-15(20(14)17)21(25)26)31(27,28)24-22-23-16-9-8-13(29-4-2)12-18(16)30-22/h5-12H,3-4H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+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