Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM441830
Substrate
n/a
Meas. Tech.
Fluorescence Resonance Energy Transfer (FRET) Assay
IC50
<500±n/a nM
Citation
 Wang, Y; Huang, Y; Yu, F; Tang, T Biaryl urea derivative or salt thereof and preparation process and use for the same US Patent  US10851050 Publication Date 12/1/2020 
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:
BDBM441830
Synonyms:
US10647665, Example 1-17 | US10851050, Example I-17
Type:
Small organic molecule
Emp. Form.:
C24H20ClF3N2O4
Mol. Mass.:
492.875
SMILES:
Cc1cc(NC(=O)NCc2ccc(CC(O)=O)cc2)cc(Cl)c1-c1ccccc1OC(F)(F)F |(-4,-8.47,;-2.67,-7.7,;-1.33,-8.47,;,-7.7,;1.33,-8.47,;2.67,-7.7,;2.67,-6.16,;4,-8.47,;5.33,-7.7,;6.67,-8.47,;8,-7.7,;9.34,-8.47,;9.34,-10.01,;10.67,-10.78,;10.67,-12.32,;9.34,-13.09,;12,-13.09,;8,-10.78,;6.67,-10.01,;,-6.16,;-1.33,-5.39,;-1.33,-3.85,;-2.67,-6.16,;-4,-5.39,;-4,-3.85,;-5.33,-3.08,;-6.67,-3.85,;-6.67,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-8.47,;-8,-9.24,;-7.44,-7.14,;-5.9,-9.8,)|
Structure:
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