Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM329653'
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Vitae Pharmaceuticals, LLC

US Patent
LigandPNGBDBM329653(US11001583, Compound 9 | US9663515, Compound 9)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C29H38F3N5O5S/c1-4-43(40,41)22-9-10-23(34-13-22)24(16-42-28(33)39)36-27(38)19-11-20-15-37(26(17(2)3)25(20)35-12-19)14-18-5-7-21(8-6-18)29(30,31)32/h9-13,17-18,21,24,26H,4-8,14-16H2,1-3H3,(H2,33,39)(H,36,38)/t18-,21+,24-,26+/m1/s1
Affinity DataKi: <100nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Vitae Pharmaceuticals, LLC

US Patent
LigandPNGBDBM329653(US11001583, Compound 9 | US9663515, Compound 9)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](COC(N)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C29H38F3N5O5S/c1-4-43(40,41)22-9-10-23(34-13-22)24(16-42-28(33)39)36-27(38)19-11-20-15-37(26(17(2)3)25(20)35-12-19)14-18-5-7-21(8-6-18)29(30,31)32/h9-13,17-18,21,24,26H,4-8,14-16H2,1-3H3,(H2,33,39)(H,36,38)/t18-,21+,24-,26+/m1/s1
Affinity DataKi: <100nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid