Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM317980'   

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))	BDBM317980 (US10807980, Compound 133 | US11535614, Compound 13...) Show SMILES CCS(=O)(=O)N\C=C(\CNC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1)C=N |r| Show InChI InChI=1S/C25H30F3N5O3S/c1-4-37(35,36)32-12-18(10-29)11-31-24(34)19-9-20-15-33(23(16(2)3)22(20)30-13-19)14-17-5-7-21(8-6-17)25(26,27)28/h5-10,12-13,16,23,29,32H,4,11,14-15H2,1-3H3,(H,31,34)/b18-12+,29-10?/t23-/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))	BDBM317980 (US10807980, Compound 133 | US11535614, Compound 13...) Show SMILES CCS(=O)(=O)N\C=C(\CNC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1)C=N |r| Show InChI InChI=1S/C25H30F3N5O3S/c1-4-37(35,36)32-12-18(10-29)11-31-24(34)19-9-20-15-33(23(16(2)3)22(20)30-13-19)14-17-5-7-21(8-6-17)25(26,27)28/h5-10,12-13,16,23,29,32H,4,11,14-15H2,1-3H3,(H,31,34)/b18-12+,29-10?/t23-/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))	BDBM317980 (US10807980, Compound 133 | US11535614, Compound 13...) Show SMILES CCS(=O)(=O)N\C=C(\CNC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1)C=N |r| Show InChI InChI=1S/C25H30F3N5O3S/c1-4-37(35,36)32-12-18(10-29)11-31-24(34)19-9-20-15-33(23(16(2)3)22(20)30-13-19)14-17-5-7-21(8-6-17)25(26,27)28/h5-10,12-13,16,23,29,32H,4,11,14-15H2,1-3H3,(H,31,34)/b18-12+,29-10?/t23-/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))	BDBM317980 (US10807980, Compound 133 | US11535614, Compound 13...) Show SMILES CCS(=O)(=O)N\C=C(\CNC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1)C=N |r| Show InChI InChI=1S/C25H30F3N5O3S/c1-4-37(35,36)32-12-18(10-29)11-31-24(34)19-9-20-15-33(23(16(2)3)22(20)30-13-19)14-17-5-7-21(8-6-17)25(26,27)28/h5-10,12-13,16,23,29,32H,4,11,14-15H2,1-3H3,(H,31,34)/b18-12+,29-10?/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	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