Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM332429
Substrate
n/a
Meas. Tech.
Biochemical TR-FRET Assay
IC50
40.0±n/a nM
Citation
 Barr, KJ; Bienstock, CE; Maclean, JK; Zhang, H; Beresis, RT; Zhang, D; Anthony, NJ; Lapointe, BT; Tian, Y 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof US Patent  US9745265 Publication Date 8/29/2017 
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:
BDBM332429
Synonyms:
4-(1-(2- (dimethyl- amino)-6- methyl- benzoyl)-1H- pyrazolo[4,3- b]pyridin-3- yl)-3-fluoro- benzoic acid | US10196354, Example 1Y | US9745265, 1Y
Type:
Small organic molecule
Emp. Form.:
C23H19FN4O3
Mol. Mass.:
418.4204
SMILES:
CN(C)c1cccc(C)c1C(=O)n1nc(-c2ccc(cc2F)C(O)=O)c2ncccc12
Structure:
Search PDB for entries with ligand similarity: