Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM329702
Substrate
n/a
Meas. Tech.
ChEMBL_1838766 (CHEMBL4338899)
IC50
7.0±n/a nM
Citation
 Zhang, H; Lapointe, BT; Anthony, N; Azevedo, R; Cals, J; Correll, CC; Daniels, M; Deshmukh, S; van Eenenaam, H; Ferguson, H; Hegde, LG; Karstens, WJ; Maclean, J; Miller, JR; Moy, LY; Simov, V; Nagpal, S; Oubrie, A; Palte, RL; Parthasarathy, G; Sciammetta, N; van der Stelt, M; Woodhouse, JD; Trotter, BW; Barr, K Discovery of N-(Indazol-3-yl)piperidine-4-carboxylic Acids as ROR??t Allosteric Inhibitors for Autoimmune Diseases ACS Med Chem Lett 11:114-119 (2020) [PubMed]  Article 
Target
Name:
Nuclear receptor ROR-gamma
Synonyms:
NR1F3 | Nuclear receptor ROR-gamma | Nuclear receptor ROR-gamma (RORC) | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C (RORc) | RORC | RORG | RORG_HUMAN | RZRG | Retinoid-related orphan receptor-gamma | Retinoid-related orphan receptor-gamma (RORc)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
58218.40
Organism:
Homo sapiens (Human)
Description:
P51449
Residue:
518
Sequence:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQRCNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKASGSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPGLGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
  
Inhibitor
Name:
BDBM329702
Synonyms:
1-(1-(2-chloro-6- (trifluoromethyl)benzoyl)-4-fluoro-1H- indazol-3- yl)piperidine-4- carboxylic acid | US9663522, 1I
Type:
Small organic molecule
Emp. Form.:
C21H16ClF4N3O3
Mol. Mass.:
469.817
SMILES:
OC(=O)C1CCN(CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12
Structure:
Search PDB for entries with ligand similarity: