Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM416503'   

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))	BDBM416503 (N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-((4-(trif...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC(C)C)c(CN4CCC(CC4)C(F)(F)F)nc3c2)cc1 Show InChI InChI=1S/C28H35F3N4O3S/c1-4-39(37,38)23-8-5-20(6-9-23)16-32-27(36)21-7-10-25-24(15-21)33-26(35(25)17-19(2)3)18-34-13-11-22(12-14-34)28(29,30)31/h5-10,15,19,22H,4,11-14,16-18H2,1-3H3,(H,32,36)	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))	BDBM416503 (N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-((4-(trif...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC(C)C)c(CN4CCC(CC4)C(F)(F)F)nc3c2)cc1 Show InChI InChI=1S/C28H35F3N4O3S/c1-4-39(37,38)23-8-5-20(6-9-23)16-32-27(36)21-7-10-25-24(15-21)33-26(35(25)17-19(2)3)18-34-13-11-22(12-14-34)28(29,30)31/h5-10,15,19,22H,4,11-14,16-18H2,1-3H3,(H,32,36)	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))	BDBM416503 (N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-((4-(trif...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC(C)C)c(CN4CCC(CC4)C(F)(F)F)nc3c2)cc1 Show InChI InChI=1S/C28H35F3N4O3S/c1-4-39(37,38)23-8-5-20(6-9-23)16-32-27(36)21-7-10-25-24(15-21)33-26(35(25)17-19(2)3)18-34-13-11-22(12-14-34)28(29,30)31/h5-10,15,19,22H,4,11-14,16-18H2,1-3H3,(H,32,36)	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