Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM416472
Substrate
n/a
Meas. Tech.
Radio-Ligand RORgamma Binding Assay (Assay 1)
Ki
<100±n/a nM
Citation
 Claremon, DA; Dillard, LW; Fan, Y; Lotesta, SD; Singh, SB; Tice, CM; Zhao, W; Zhuang, L Substituted indoles as modulators of ROR-gamma US Patent  US10301261 Publication Date 5/28/2019 
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:
BDBM416472
Synonyms:
1-cyclopropyl-N-((S)-1-(4-(ethylsulfonyl)phenyl)-3-hydroxypropyl)-2-(((1r,4S)-4-(trifluoromethyl)cyclohexyl)methyl)-1H-benzo[d]imidazole-5-carboxamide | US10301261, Compound BE-25
Type:
Small organic molecule
Emp. Form.:
C30H36F3N3O4S
Mol. Mass.:
591.685
SMILES:
CCS(=O)(=O)c1ccc(cc1)[C@H](CCO)NC(=O)c1ccc2n(C3CC3)c(C[C@H]3CC[C@@H](CC3)C(F)(F)F)nc2c1 |wU:28.29,wD:31.36,11.15,(6.93,7.11,;5.6,6.34,;5.6,4.8,;7.14,4.8,;4.06,4.8,;5.6,3.26,;4.26,2.49,;4.26,.95,;5.6,.18,;6.93,.95,;6.93,2.49,;5.6,-1.36,;6.93,-2.13,;8.27,-1.36,;9.6,-2.13,;4.26,-2.13,;2.93,-1.36,;2.93,.18,;1.6,-2.13,;1.6,-3.67,;.26,-4.44,;-1.07,-3.67,;-2.53,-4.14,;-3.01,-5.61,;-2.69,-7.11,;-4.15,-6.64,;-3.44,-2.9,;-4.98,-2.9,;-5.75,-1.56,;-7.29,-1.56,;-8.06,-.23,;-7.29,1.1,;-5.75,1.1,;-4.98,-.23,;-8.06,2.44,;-7.29,3.77,;-8.83,3.77,;-9.6,2.44,;-2.53,-1.65,;-1.07,-2.13,;.26,-1.36,)|
Structure:
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