Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM285812'   

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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM285812 (US10080744, Example 16) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cccc(CC(C)(C)OC=O)n2)c2ccncc12)C(F)(F)F |r| Show InChI InChI=1S/C30H31F3N4O4S2/c1-18(30(31,32)33)37-43(39,40)26-11-10-22(21-12-13-34-16-23(21)26)27-25(14-19-6-4-7-19)36-28(42-27)24-9-5-8-20(35-24)15-29(2,3)41-17-38/h5,8-13,16-19,37H,4,6-7,14-15H2,1-3H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...				US Patent US10080744 (2018) BindingDB Entry DOI: 10.7270/Q21J9CVM
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM285812 (US10080744, Example 16) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cccc(CC(C)(C)OC=O)n2)c2ccncc12)C(F)(F)F |r| Show InChI InChI=1S/C30H31F3N4O4S2/c1-18(30(31,32)33)37-43(39,40)26-11-10-22(21-12-13-34-16-23(21)26)27-25(14-19-6-4-7-19)36-28(42-27)24-9-5-8-20(35-24)15-29(2,3)41-17-38/h5,8-13,16-19,37H,4,6-7,14-15H2,1-3H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...				US Patent US10080744 (2018) BindingDB Entry DOI: 10.7270/Q21J9CVM
					More data for this Ligand-Target Pair