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 = 'BDBM392101'   

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))	BDBM392101 (US10301272, Example 8/6) Show SMILES C[C@H](NC(=O)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCCCC1)C(=O)NCC(C)(C)O)C(F)(F)F |r| Show InChI InChI=1S/C29H38F3N3O3S/c1-17(29(30,31)32)34-24(36)20-13-19(14-21(15-20)28(4)10-11-28)23-22(12-18-8-6-5-7-9-18)35-26(39-23)25(37)33-16-27(2,3)38/h13-15,17-18,38H,5-12,16H2,1-4H3,(H,33,37)(H,34,36)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.01	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))	BDBM392101 (US10301272, Example 8/6) Show SMILES C[C@H](NC(=O)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCCCC1)C(=O)NCC(C)(C)O)C(F)(F)F |r| Show InChI InChI=1S/C29H38F3N3O3S/c1-17(29(30,31)32)34-24(36)20-13-19(14-21(15-20)28(4)10-11-28)23-22(12-18-8-6-5-7-9-18)35-26(39-23)25(37)33-16-27(2,3)38/h13-15,17-18,38H,5-12,16H2,1-4H3,(H,33,37)(H,34,36)/t17-/m0/s1	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))	BDBM392101 (US10301272, Example 8/6) Show SMILES C[C@H](NC(=O)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCCCC1)C(=O)NCC(C)(C)O)C(F)(F)F |r| Show InChI InChI=1S/C29H38F3N3O3S/c1-17(29(30,31)32)34-24(36)20-13-19(14-21(15-20)28(4)10-11-28)23-22(12-18-8-6-5-7-9-18)35-26(39-23)25(37)33-16-27(2,3)38/h13-15,17-18,38H,5-12,16H2,1-4H3,(H,33,37)(H,34,36)/t17-/m0/s1	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