Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isoform 2 of Nuclear receptor ROR-gamma (RORgT)' and Ligand = 'BDBM392037'   

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
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392037 (US10301272, Example 6/35) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC2)C(=O)NC2CCS(=O)(=O)CC2)c(Cl)c1Cl Show InChI InChI=1S/C23H29Cl2N3O5S3/c1-23(2,3)28-36(32,33)17-7-6-15(18(24)19(17)25)20-16(12-13-4-5-13)27-22(34-20)21(29)26-14-8-10-35(30,31)11-9-14/h6-7,13-14,28H,4-5,8-12H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Cells were incubated for additional 16 h before firefly (FF) luciferase activities were measured sequentially in the same cell extract using a Dual-L...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392037 (US10301272, Example 6/35) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC2)C(=O)NC2CCS(=O)(=O)CC2)c(Cl)c1Cl Show InChI InChI=1S/C23H29Cl2N3O5S3/c1-23(2,3)28-36(32,33)17-7-6-15(18(24)19(17)25)20-16(12-13-4-5-13)27-22(34-20)21(29)26-14-8-10-35(30,31)11-9-14/h6-7,13-14,28H,4-5,8-12H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Cells were incubated for additional 16 h before renilla (REN) luciferase activities were measured sequentially in the same cell extract using a Dual-...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (RORgT) (Homo sapiens (Human))	BDBM392037 (US10301272, Example 6/35) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC2)C(=O)NC2CCS(=O)(=O)CC2)c(Cl)c1Cl Show InChI InChI=1S/C23H29Cl2N3O5S3/c1-23(2,3)28-36(32,33)17-7-6-15(18(24)19(17)25)20-16(12-13-4-5-13)27-22(34-20)21(29)26-14-8-10-35(30,31)11-9-14/h6-7,13-14,28H,4-5,8-12H2,1-3H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair