Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM352589
Substrate
n/a
Meas. Tech.
biochemical TR-FRET assay
IC50
2.24±n/a nM
Citation
 Aicher, TD; VanHuis, CA; Thomas, WD; MacLean, JK; Andresen, BM; Barr, KJ; Bienstock, CE; Anthony, NJ; Daniels, M; Liu, K; Liu, Y; White, CM; Lapointe, BT; Sciammetta, N; Simov, V Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease US Patent  US10221146 Publication Date 3/5/2019 
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:
BDBM352589
Synonyms:
(S)-methyl 2-(6-((tert- butoxycarbonyl)amino)-4-((3-chloro-4- fluorophenyl)sulfonyl)-3,4-dihydro-2H- benzo[b][1,4]oxazin-2-yl)acetate | US10745364, Example 30A | US9809561, 30A
Type:
Small organic molecule
Emp. Form.:
C22H24ClFN2O7S
Mol. Mass.:
514.952
SMILES:
COC(=O)C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C)ccc2O1)S(=O)(=O)c1ccc(F)c(Cl)c1 |r|
Structure:
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