Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM416498'   

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))	BDBM416498 (1-cyclopropyl-2-(4-(difluoromethoxy)benzyl)-N-(4-(...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(Cc4ccc(OC(F)F)cc4)nc3c2)cc1 Show InChI InChI=1S/C28H27F2N3O4S/c1-2-38(35,36)23-12-5-19(6-13-23)17-31-27(34)20-7-14-25-24(16-20)32-26(33(25)21-8-9-21)15-18-3-10-22(11-4-18)37-28(29)30/h3-7,10-14,16,21,28H,2,8-9,15,17H2,1H3,(H,31,34)	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))	BDBM416498 (1-cyclopropyl-2-(4-(difluoromethoxy)benzyl)-N-(4-(...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(Cc4ccc(OC(F)F)cc4)nc3c2)cc1 Show InChI InChI=1S/C28H27F2N3O4S/c1-2-38(35,36)23-12-5-19(6-13-23)17-31-27(34)20-7-14-25-24(16-20)32-26(33(25)21-8-9-21)15-18-3-10-22(11-4-18)37-28(29)30/h3-7,10-14,16,21,28H,2,8-9,15,17H2,1H3,(H,31,34)	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))	BDBM416498 (1-cyclopropyl-2-(4-(difluoromethoxy)benzyl)-N-(4-(...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(Cc4ccc(OC(F)F)cc4)nc3c2)cc1 Show InChI InChI=1S/C28H27F2N3O4S/c1-2-38(35,36)23-12-5-19(6-13-23)17-31-27(34)20-7-14-25-24(16-20)32-26(33(25)21-8-9-21)15-18-3-10-22(11-4-18)37-28(29)30/h3-7,10-14,16,21,28H,2,8-9,15,17H2,1H3,(H,31,34)	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