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 = 'BDBM392253'   

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))	BDBM392253 (US10301272, Example 300/1) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2-c2ccccc2)C(=O)NC2CCS(=O)(=O)CC2)c2ccccc12 Show InChI InChI=1S/C29H31N3O5S3/c1-29(2,3)32-40(36,37)24-14-13-23(21-11-7-8-12-22(21)24)26-25(19-9-5-4-6-10-19)31-28(38-26)27(33)30-20-15-17-39(34,35)18-16-20/h4-14,20,32H,15-18H2,1-3H3,(H,30,33)	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 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))	BDBM392253 (US10301272, Example 300/1) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2-c2ccccc2)C(=O)NC2CCS(=O)(=O)CC2)c2ccccc12 Show InChI InChI=1S/C29H31N3O5S3/c1-29(2,3)32-40(36,37)24-14-13-23(21-11-7-8-12-22(21)24)26-25(19-9-5-4-6-10-19)31-28(38-26)27(33)30-20-15-17-39(34,35)18-16-20/h4-14,20,32H,15-18H2,1-3H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.8	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))	BDBM392253 (US10301272, Example 300/1) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2-c2ccccc2)C(=O)NC2CCS(=O)(=O)CC2)c2ccccc12 Show InChI InChI=1S/C29H31N3O5S3/c1-29(2,3)32-40(36,37)24-14-13-23(21-11-7-8-12-22(21)24)26-25(19-9-5-4-6-10-19)31-28(38-26)27(33)30-20-15-17-39(34,35)18-16-20/h4-14,20,32H,15-18H2,1-3H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63.1	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