Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM50108881
Substrate
n/a
Meas. Tech.
ChEMBL_1571959 (CHEMBL3796417)
IC50
220±n/a nM
Citation
 Enyedy, IJ; Powell, NA; Caravella, J; van Vloten, K; Chao, J; Banerjee, D; Marcotte, D; Silvian, L; McKenzie, A; Hong, VS; Fontenot, JD Discovery of biaryls as ROR¿ inverse agonists by using structure-based design. Bioorg Med Chem Lett 26:2459-63 (2016) [PubMed]  Article 
Target
Name:
Nuclear receptor ROR-gamma
Synonyms:
Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C (RORc) | Retinoid-related orphan receptor-gamma | Retinoid-related orphan receptor-gamma (RORc) | Nuclear receptor ROR-gamma (RORC) | RORG_HUMAN | RORC | NR1F3 | RORG | RZRG
Type:
Enzyme Catalytic Domain
Mol. Mass.:
58218.40
Organism:
Human
Description:
P51449
Residue:
518
Sequence:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQRCNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKASGSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPGLGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
  
Inhibitor
Name:
BDBM50108881
Synonyms:
CHEMBL3596591
Type:
Small organic molecule
Emp. Form.:
C23H17Cl2FN2O2
Mol. Mass.:
442.07
SMILES:
NC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl
Structure:
Search PDB for entries with ligand similarity: