Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50112366'   

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))	BDBM50112366 (CHEMBL3609408) Show SMILES CS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1 |(-3.74,2.16,;-2.67,1.54,;-2.67,2.77,;-3.73,.92,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.66,-3.08,;1.6,-3.7,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.32,-7.71,;6.39,-8.33,;3.98,-8.48,;2.65,-7.7,;1.58,-8.32,;2.66,-6.16,;3.98,-10.02,;2.64,-10.78,;2.63,-12.32,;3.96,-13.1,;5.3,-12.34,;5.31,-10.8,;6.65,-10.03,;7.98,-10.81,;9.05,-10.21,;7.97,-12.05,;9.04,-11.44,;,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C22H16Cl2F3NO4S/c1-33(30,31)15-8-6-13(7-9-15)10-20(29)28-14-11-17(23)21(18(24)12-14)16-4-2-3-5-19(16)32-22(25,26)27/h2-9,11-12H,10H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay				ACS Med Chem Lett 6: 787-92 (2015) Article DOI: 10.1021/acsmedchemlett.5b00122 BindingDB Entry DOI: 10.7270/Q2XG9SWD
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50112366 (CHEMBL3609408) Show SMILES CS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1 |(-3.74,2.16,;-2.67,1.54,;-2.67,2.77,;-3.73,.92,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.66,-3.08,;1.6,-3.7,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.32,-7.71,;6.39,-8.33,;3.98,-8.48,;2.65,-7.7,;1.58,-8.32,;2.66,-6.16,;3.98,-10.02,;2.64,-10.78,;2.63,-12.32,;3.96,-13.1,;5.3,-12.34,;5.31,-10.8,;6.65,-10.03,;7.98,-10.81,;9.05,-10.21,;7.97,-12.05,;9.04,-11.44,;,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C22H16Cl2F3NO4S/c1-33(30,31)15-8-6-13(7-9-15)10-20(29)28-14-11-17(23)21(18(24)12-14)16-4-2-3-5-19(16)32-22(25,26)27/h2-9,11-12H,10H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human APC-labeled RORgammat LBD (262 to 518 residues) transfected in Escherichia coli BL21 (DE3) assessed as biotinylated SRC recruitme...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01746 BindingDB Entry DOI: 10.7270/Q21G0R53
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50112366 (CHEMBL3609408) Show SMILES CS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1 |(-3.74,2.16,;-2.67,1.54,;-2.67,2.77,;-3.73,.92,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.66,-3.08,;1.6,-3.7,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.32,-7.71,;6.39,-8.33,;3.98,-8.48,;2.65,-7.7,;1.58,-8.32,;2.66,-6.16,;3.98,-10.02,;2.64,-10.78,;2.63,-12.32,;3.96,-13.1,;5.3,-12.34,;5.31,-10.8,;6.65,-10.03,;7.98,-10.81,;9.05,-10.21,;7.97,-12.05,;9.04,-11.44,;,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C22H16Cl2F3NO4S/c1-33(30,31)15-8-6-13(7-9-15)10-20(29)28-14-11-17(23)21(18(24)12-14)16-4-2-3-5-19(16)32-22(25,26)27/h2-9,11-12H,10H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GAL4-fused RORgammat LBD transfected in HEK293T cell measured after 24 hrs by by dual-glo luciferase assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01746 BindingDB Entry DOI: 10.7270/Q21G0R53
					More data for this Ligand-Target Pair