Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-alpha' and Ligand = 'BDBM438836'
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Eli Lilly and Company

US Patent
LigandPNGBDBM438836(1'-[1-(4- Cyanophenyl)ethyl]- 5,5- spirocyclopropa...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC4(CC4)OC4(CCN(CC4)C(C)c4ccc(cc4)C#N)c3s2)cc1
Show InChI InChI=1S/C32H35N3O4S2/c1-3-41(37,38)27-10-6-24(7-11-27)21-34-30(36)28-18-26-19-31(12-13-31)39-32(29(26)40-28)14-16-35(17-15-32)22(2)25-8-4-23(20-33)5-9-25/h4-11,18,22H,3,12-17,19,21H2,1-2H3,(H,34,36)
Affinity DataKi: >2.04E+4nMAssay Description:His-tagged human RAR-related orphan receptor alpha (hRORa), human RAR-related orphan receptor beta (hRORb), and human RAR-related orphan receptor gam...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid