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 = 'BDBM392047'   

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))	BDBM392047 (US10301272, Example 6/45) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CCS(=O)(=O)CC3)c(Cl)c1Cl Show InChI InChI=1S/C28H37Cl2N3O5S3/c1-27(2,3)32-41(37,38)21-10-9-19(22(29)23(21)30)24-20(15-18-7-5-4-6-8-18)31-25(39-24)26(34)33-16-28(17-33)11-13-40(35,36)14-12-28/h9-10,18,32H,4-8,11-17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	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))	BDBM392047 (US10301272, Example 6/45) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CCS(=O)(=O)CC3)c(Cl)c1Cl Show InChI InChI=1S/C28H37Cl2N3O5S3/c1-27(2,3)32-41(37,38)21-10-9-19(22(29)23(21)30)24-20(15-18-7-5-4-6-8-18)31-25(39-24)26(34)33-16-28(17-33)11-13-40(35,36)14-12-28/h9-10,18,32H,4-8,11-17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.6	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))	BDBM392047 (US10301272, Example 6/45) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CCS(=O)(=O)CC3)c(Cl)c1Cl Show InChI InChI=1S/C28H37Cl2N3O5S3/c1-27(2,3)32-41(37,38)21-10-9-19(22(29)23(21)30)24-20(15-18-7-5-4-6-8-18)31-25(39-24)26(34)33-16-28(17-33)11-13-40(35,36)14-12-28/h9-10,18,32H,4-8,11-17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	79.4	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