Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM50451751
Substrate
n/a
Meas. Tech.
ChEMBL_1746164 (CHEMBL4180674)
IC50
200±n/a nM
Citation
 Barbay, JK; Cummings, MD; Abad, M; Castro, G; Kreutter, KD; Kummer, DA; Maharoof, U; Milligan, C; Nishimura, R; Pierce, J; Schalk-Hihi, C; Spurlino, J; Tanis, VM; Urbanski, M; Venkatesan, H; Wang, A; Woods, C; Wolin, R; Xue, X; Edwards, JP; Fourie, AM; Leonard, K 6-Substituted quinolines as ROR?t inverse agonists. Bioorg Med Chem Lett 27:5277-5283 (2017) [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:
BDBM50451751
Synonyms:
CHEMBL4216372
Type:
Small organic molecule
Emp. Form.:
C31H30ClN7O2
Mol. Mass.:
568.069
SMILES:
COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Structure:
Search PDB for entries with ligand similarity: