Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50005481'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50005481 (CHEMBL140923 | CHEMBL3234251) Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)C(C)=O Show InChI InChI=1S/C21H18N2O4S/c1-3-23-18-11-12-19(16-5-4-6-17(20(16)18)21(23)25)28(26,27)22-15-9-7-14(8-10-15)13(2)24/h4-12,22H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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 (Homo sapiens (Human))	BDBM50005481 (CHEMBL140923 | CHEMBL3234251) Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)C(C)=O Show InChI InChI=1S/C21H18N2O4S/c1-3-23-18-11-12-19(16-5-4-6-17(20(16)18)21(23)25)28(26,27)22-15-9-7-14(8-10-15)13(2)24/h4-12,22H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50005481 (CHEMBL140923 | CHEMBL3234251) Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)C(C)=O Show InChI InChI=1S/C21H18N2O4S/c1-3-23-18-11-12-19(16-5-4-6-17(20(16)18)21(23)25)28(26,27)22-15-9-7-14(8-10-15)13(2)24/h4-12,22H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.01E+4	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