Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM416424'   

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))	BDBM416424 ((R)-1-ethyl-N-(1-(4-(ethylsulfonyl)phenyl)-2-hydro...) Show SMILES CCn1c(CN2CCC(CC2)C(F)(F)F)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC |r| Show InChI InChI=1S/C28H34F3N3O4S/c1-3-34-23(17-33-13-11-22(12-14-33)28(29,30)31)16-21-15-20(7-10-26(21)34)27(36)32-25(18-35)19-5-8-24(9-6-19)39(37,38)4-2/h5-10,15-16,22,25,35H,3-4,11-14,17-18H2,1-2H3,(H,32,36)/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 described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...				US Patent US10301261 (2019) BindingDB Entry DOI: 10.7270/Q2CZ39H8
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM416424 ((R)-1-ethyl-N-(1-(4-(ethylsulfonyl)phenyl)-2-hydro...) Show SMILES CCn1c(CN2CCC(CC2)C(F)(F)F)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC |r| Show InChI InChI=1S/C28H34F3N3O4S/c1-3-34-23(17-33-13-11-22(12-14-33)28(29,30)31)16-21-15-20(7-10-26(21)34)27(36)32-25(18-35)19-5-8-24(9-6-19)39(37,38)4-2/h5-10,15-16,22,25,35H,3-4,11-14,17-18H2,1-2H3,(H,32,36)/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 described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...				US Patent US10829448 (2020) BindingDB Entry DOI: 10.7270/Q21V5J1H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM416424 ((R)-1-ethyl-N-(1-(4-(ethylsulfonyl)phenyl)-2-hydro...) Show SMILES CCn1c(CN2CCC(CC2)C(F)(F)F)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC |r| Show InChI InChI=1S/C28H34F3N3O4S/c1-3-34-23(17-33-13-11-22(12-14-33)28(29,30)31)16-21-15-20(7-10-26(21)34)27(36)32-25(18-35)19-5-8-24(9-6-19)39(37,38)4-2/h5-10,15-16,22,25,35H,3-4,11-14,17-18H2,1-2H3,(H,32,36)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
Vitae Pharmaceuticals, LLC US Patent					Assay Description Compounds described herein were tested for RORγ inverse agonist activity in a cell-based, transcriptional activity assay. Secreted Nanoluc® luci...				US Patent US10301261 (2019) BindingDB Entry DOI: 10.7270/Q2CZ39H8
					More data for this Ligand-Target Pair