Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM50466377
Substrate
n/a
Meas. Tech.
ChEMBL_1792871 (CHEMBL4264790)
IC50
74±n/a nM
Citation
 Sasaki, Y; Odan, M; Yamamoto, S; Kida, S; Ueyama, A; Shimizu, M; Haruna, T; Watanabe, A; Okuno, T Discovery of a potent orally bioavailable retinoic acid receptor-related orphan receptor-gamma-t (ROR?t) inhibitor, S18-000003. Bioorg Med Chem Lett 28:3549-3553 (2018) [PubMed]  Article 
Target
Name:
Nuclear receptor ROR-gamma
Synonyms:
Nr1f3 | Nuclear receptor RZR-gamma | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C | RORG_MOUSE | Retinoid-related orphan receptor-gamma | Rorc | Rorg | TOR | Thor | Thymus orphan receptor
Type:
PROTEIN
Mol. Mass.:
58133.31
Organism:
Mus musculus
Description:
ChEMBL_103664
Residue:
516
Sequence:
MDRAPQRHHRTSRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQCNVAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQQQQQEQVAKTPPAGSRGADTLTYTLGLSDGQLPLGASPDLPEASACPPGLLRASGSGPPYSNTLAKTEVQGASCHLEYSPERGKAEGRDSIYSTDGQLTLGRCGLRFEETRHPELGEPEQGPDSHCIPSFCSAPEVPYASLTDIEYLVQNVCKSFRETCQLRLEDLLRQRTNLFSREEVTSYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIILLTAGAMEVVLVRMCRAYNANNHTVFFEGKYGGVELFRALGCSELISSIFDFSHFLSALCFSEDEIALYTALVLINANRPGLQEKRRVEHLQYNLELAFHHHLCKTHRQGLLAKLPPKGKLRSLCSQHVEKLQIFQHLHPIVVQAAFPPLYKELFSTDVESPEGLSK
  
Inhibitor
Name:
BDBM50466377
Synonyms:
CHEMBL4279772
Type:
Small organic molecule
Emp. Form.:
C26H25FN4O4S
Mol. Mass.:
508.565
SMILES:
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2cc(ccn2)C#N)cc1
Structure:
Search PDB for entries with ligand similarity: