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Target
Nuclear receptor ROR-gamma
Ligand
BDBM368676
Substrate
n/a
Meas. Tech.
Assay of Co-Activator Recruitment by TR-FRET
IC50
102±n/a nM
Citation
 Schnute, ME; Flick, AC; Jones, P; Kaila, N; Mente, SR; Trzupek, JD; Vazquez, ML; Wennerstal, GM; Xing, L; Zamaratski, E; Zhang, L; Unwalla, RJ Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use therof US Patent  US10227346 Publication Date 3/12/2019 
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:
BDBM368676
Synonyms:
Preparation of 3-cyano-N-(3-((1R,5S,8r)-3-isobutyryl-3-azabicyclo[3.2.1]octan-8-yl)-1,4-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide | US10227346, Example 98 | US10426135, Example 98 | US9920054, Example 98
Type:
Small organic molecule
Emp. Form.:
C28H31N5O2
Mol. Mass.:
469.578
SMILES:
CC(C)C(=O)N1C[C@@H]2CC[C@H](C1)C2c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12 |r|
Structure:
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