Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM317862'   

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))	BDBM317862 (US10807980, Compound 15 | US9624217, Compound 15 |...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C25H33N3O5S/c1-7-34(31,32)20-10-8-17(9-11-20)13-27-23(29)18-12-19-15-28(24(30)33-25(4,5)6)22(16(2)3)21(19)26-14-18/h8-12,14,16,22H,7,13,15H2,1-6H3,(H,27,29)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...				US Patent US9624217 (2017) BindingDB Entry DOI: 10.7270/Q29P33RJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317862 (US10807980, Compound 15 | US9624217, Compound 15 |...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C25H33N3O5S/c1-7-34(31,32)20-10-8-17(9-11-20)13-27-23(29)18-12-19-15-28(24(30)33-25(4,5)6)22(16(2)3)21(19)26-14-18/h8-12,14,16,22H,7,13,15H2,1-6H3,(H,27,29)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, LLC US Patent					Assay Description Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...				US Patent US10807980 (2020) BindingDB Entry DOI: 10.7270/Q2PR803S
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317862 (US10807980, Compound 15 | US9624217, Compound 15 |...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C25H33N3O5S/c1-7-34(31,32)20-10-8-17(9-11-20)13-27-23(29)18-12-19-15-28(24(30)33-25(4,5)6)22(16(2)3)21(19)26-14-18/h8-12,14,16,22H,7,13,15H2,1-6H3,(H,27,29)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, LLC US Patent					Assay Description Compounds of the present invention were tested for RORγ inverse agonist activity in a cell-based, transcriptional activity assay. Secreted Nanol...				US Patent US10807980 (2020) BindingDB Entry DOI: 10.7270/Q2PR803S
					More data for this Ligand-Target Pair