Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM329660'
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Vitae Pharmaceuticals, LLC

US Patent
LigandPNGBDBM329660(US11001583, Compound 16 | US9663515, Compound 16)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[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/C30H39F3N4O5S/c1-4-43(40,41)24-11-7-20(8-12-24)25(17-42-29(34)39)36-28(38)21-13-22-16-37(27(18(2)3)26(22)35-14-21)15-19-5-9-23(10-6-19)30(31,32)33/h7-8,11-14,18-19,23,25,27H,4-6,9-10,15-17H2,1-3H3,(H2,34,39)(H,36,38)/t19-,23-,25-,27-/m0/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
LigandPNGBDBM329660(US11001583, Compound 16 | US9663515, Compound 16)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[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/C30H39F3N4O5S/c1-4-43(40,41)24-11-7-20(8-12-24)25(17-42-29(34)39)36-28(38)21-13-22-16-37(27(18(2)3)26(22)35-14-21)15-19-5-9-23(10-6-19)30(31,32)33/h7-8,11-14,18-19,23,25,27H,4-6,9-10,15-17H2,1-3H3,(H2,34,39)(H,36,38)/t19-,23-,25-,27-/m0/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