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 = 'BDBM392173'   

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))	BDBM392173 (US10301272, Example 21/4) Show SMILES CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(s1)-c1ccc(c(Cl)c1OC(F)F)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C26H36ClF2N3O5S2/c1-25(2,3)32-39(35,36)18-12-11-16(20(19(18)27)37-24(28)29)21-17(13-15-9-7-6-8-10-15)31-23(38-21)22(33)30-14-26(4,5)34/h11-12,15,24,32,34H,6-10,13-14H2,1-5H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.98	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))	BDBM392173 (US10301272, Example 21/4) Show SMILES CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(s1)-c1ccc(c(Cl)c1OC(F)F)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C26H36ClF2N3O5S2/c1-25(2,3)32-39(35,36)18-12-11-16(20(19(18)27)37-24(28)29)21-17(13-15-9-7-6-8-10-15)31-23(38-21)22(33)30-14-26(4,5)34/h11-12,15,24,32,34H,6-10,13-14H2,1-5H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.31	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))	BDBM392173 (US10301272, Example 21/4) Show SMILES CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(s1)-c1ccc(c(Cl)c1OC(F)F)S(=O)(=O)NC(C)(C)C Show InChI InChI=1S/C26H36ClF2N3O5S2/c1-25(2,3)32-39(35,36)18-12-11-16(20(19(18)27)37-24(28)29)21-17(13-15-9-7-6-8-10-15)31-23(38-21)22(33)30-14-26(4,5)34/h11-12,15,24,32,34H,6-10,13-14H2,1-5H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	126	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