Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM416470
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:
BDBM416470
Synonyms:
1-ethyl-N-((R)-1-(4-(ethylsulfonyl)phenyl)-2-hydroxyethyl)-2-(((1r,4R)-4-(trifluoromethyl)cyclohexyl)methyl)-1H-benzo[d]imidazole-5-carboxamide | US10301261, Compound BE-23
Type:
Small organic molecule
Emp. Form.:
C28H34F3N3O4S
Mol. Mass.:
565.647
SMILES:
CCn1c(C[C@H]2CC[C@@H](CC2)C(F)(F)F)nc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC |wU:5.4,wD:8.11,25.27,(3.85,6.52,;2.34,6.2,;1.87,4.74,;2.77,3.49,;4.31,3.49,;5.08,2.16,;6.62,2.16,;7.39,.82,;6.62,-.51,;5.08,-.51,;4.31,.82,;7.39,-1.85,;6.62,-3.18,;8.16,-3.18,;8.93,-1.85,;1.87,2.24,;.4,2.72,;-.93,1.95,;-2.26,2.72,;-2.26,4.26,;-.93,5.03,;.4,4.26,;-3.6,1.95,;-3.6,.41,;-4.93,2.72,;-6.27,1.95,;-7.6,2.72,;-8.93,1.95,;-6.27,.41,;-4.93,-.36,;-4.93,-1.9,;-6.27,-2.67,;-7.6,-1.9,;-7.6,-.36,;-6.27,-4.21,;-7.81,-4.21,;-4.73,-4.21,;-6.27,-5.75,;-7.6,-6.52,)|
Structure:
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