Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM475864
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:
BDBM475864
Synonyms:
2-(4-((3-(2′-(difluoromethoxy)-2,6-dimethyl-[1,1′-biphenyl]-4-yl)ureido)methyl)phenyl)acetic acid | US10851050, Example I-21
Type:
Small organic molecule
Emp. Form.:
C25H24F2N2O4
Mol. Mass.:
454.4659
SMILES:
Cc1cc(NC(=O)NCc2ccc(CC(O)=O)cc2)cc(C)c1-c1ccccc1OC(F)F |(-5.77,-4.74,;-5,-3.41,;-3.46,-3.41,;-2.7,-2.07,;-1.15,-2.07,;-.39,-.74,;-1.15,.59,;1.15,-.74,;1.92,.59,;3.46,.59,;4.24,-.74,;5.77,-.74,;6.55,.59,;8.08,.59,;8.85,1.93,;10.39,1.93,;8.08,3.26,;5.77,1.93,;4.24,1.93,;-3.46,-.74,;-5,-.74,;-5.78,.59,;-5.77,-2.07,;-7.31,-2.07,;-8.08,-3.41,;-9.62,-3.41,;-10.39,-2.07,;-9.62,-.74,;-8.08,-.74,;-7.31,.59,;-8.08,1.93,;-9.62,1.93,;-7.31,3.26,)|
Structure:
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