Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50005476'   

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))	BDBM50005476 (CHEMBL141978 | CHEMBL3234247) Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)\N=N\c1ccccc1 Show InChI InChI=1S/C25H20N4O3S/c1-2-29-22-15-16-23(20-9-6-10-21(24(20)22)25(29)30)33(31,32)28-19-13-11-18(12-14-19)27-26-17-7-4-3-5-8-17/h3-16,28H,2H2,1H3/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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))	BDBM50005476 (CHEMBL141978 | CHEMBL3234247) Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)\N=N\c1ccccc1 Show InChI InChI=1S/C25H20N4O3S/c1-2-29-22-15-16-23(20-9-6-10-21(24(20)22)25(29)30)33(31,32)28-19-13-11-18(12-14-19)27-26-17-7-4-3-5-8-17/h3-16,28H,2H2,1H3/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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))	BDBM50005476 (CHEMBL141978 | CHEMBL3234247) Show SMILES CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ccc(cc1)\N=N\c1ccccc1 Show InChI InChI=1S/C25H20N4O3S/c1-2-29-22-15-16-23(20-9-6-10-21(24(20)22)25(29)30)33(31,32)28-19-13-11-18(12-14-19)27-26-17-7-4-3-5-8-17/h3-16,28H,2H2,1H3/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.05E+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