Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM317871'   

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))	BDBM317871 (US10399976, Compound 24 | US10807980, Compound 24 ...) Show SMILES CC(C)[C@@H]1N(Cc2ccc(F)cc2)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C26H28FN3O3S/c1-17(2)25-24-21(16-30(25)15-19-4-8-22(27)9-5-19)12-20(14-28-24)26(31)29-13-18-6-10-23(11-7-18)34(3,32)33/h4-12,14,17,25H,13,15-16H2,1-3H3,(H,29,31)/t25-/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))	BDBM317871 (US10399976, Compound 24 | US10807980, Compound 24 ...) Show SMILES CC(C)[C@@H]1N(Cc2ccc(F)cc2)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C26H28FN3O3S/c1-17(2)25-24-21(16-30(25)15-19-4-8-22(27)9-5-19)12-20(14-28-24)26(31)29-13-18-6-10-23(11-7-18)34(3,32)33/h4-12,14,17,25H,13,15-16H2,1-3H3,(H,29,31)/t25-/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 ROR gamma in a cell-free competition assay with commercially available radio-li...				US Patent US10399976 (2019) BindingDB Entry DOI: 10.7270/Q2F76FXT
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317871 (US10399976, Compound 24 | US10807980, Compound 24 ...) Show SMILES CC(C)[C@@H]1N(Cc2ccc(F)cc2)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C26H28FN3O3S/c1-17(2)25-24-21(16-30(25)15-19-4-8-22(27)9-5-19)12-20(14-28-24)26(31)29-13-18-6-10-23(11-7-18)34(3,32)33/h4-12,14,17,25H,13,15-16H2,1-3H3,(H,29,31)/t25-/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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BK1H79
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317871 (US10399976, Compound 24 | US10807980, Compound 24 ...) Show SMILES CC(C)[C@@H]1N(Cc2ccc(F)cc2)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C26H28FN3O3S/c1-17(2)25-24-21(16-30(25)15-19-4-8-22(27)9-5-19)12-20(14-28-24)26(31)29-13-18-6-10-23(11-7-18)34(3,32)33/h4-12,14,17,25H,13,15-16H2,1-3H3,(H,29,31)/t25-/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))	BDBM317871 (US10399976, Compound 24 | US10807980, Compound 24 ...) Show SMILES CC(C)[C@@H]1N(Cc2ccc(F)cc2)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C26H28FN3O3S/c1-17(2)25-24-21(16-30(25)15-19-4-8-22(27)9-5-19)12-20(14-28-24)26(31)29-13-18-6-10-23(11-7-18)34(3,32)33/h4-12,14,17,25H,13,15-16H2,1-3H3,(H,29,31)/t25-/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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM317871 (US10399976, Compound 24 | US10807980, Compound 24 ...) Show SMILES CC(C)[C@@H]1N(Cc2ccc(F)cc2)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C26H28FN3O3S/c1-17(2)25-24-21(16-30(25)15-19-4-8-22(27)9-5-19)12-20(14-28-24)26(31)29-13-18-6-10-23(11-7-18)34(3,32)33/h4-12,14,17,25H,13,15-16H2,1-3H3,(H,29,31)/t25-/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 ROR gamma inverse agonist activity in a cell-based, transcriptional activity assay. Secreted Nanol...				US Patent US10399976 (2019) BindingDB Entry DOI: 10.7270/Q2F76FXT
					More data for this Ligand-Target Pair