Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM416467
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:
BDBM416467
Synonyms:
1-ethyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,4r)-4-(trifluoromethyl)cyclohexyl)methyl)-1H-benzo[d]imidazole-5-carboxamide | US10301261, Compound BE-20
Type:
Small organic molecule
Emp. Form.:
C27H32F3N3O3S
Mol. Mass.:
535.621
SMILES:
CCn1c(C[C@H]2CC[C@@H](CC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC |wU:5.4,wD:8.11,(6.52,4.85,;5.01,4.53,;4.53,3.06,;5.44,1.82,;6.98,1.82,;7.75,.49,;9.29,.49,;10.06,-.85,;9.29,-2.18,;7.75,-2.18,;6.98,-.85,;10.06,-3.52,;9.29,-4.85,;10.83,-4.85,;11.6,-3.52,;4.53,.57,;3.07,1.05,;1.74,.28,;.4,1.05,;.4,2.59,;1.74,3.36,;3.07,2.59,;-.93,.28,;-.93,-1.26,;-2.26,1.05,;-3.6,.28,;-4.93,1.05,;-6.27,.28,;-7.6,1.05,;-7.6,2.59,;-6.27,3.36,;-4.93,2.59,;-8.93,3.36,;-8.16,4.69,;-9.7,2.03,;-10.27,4.13,;-11.6,3.36,)|
Structure:
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