Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM416463
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:
BDBM416463
Synonyms:
1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,4r)-4-(trifluoromethyl)cyclohexyl)methyl)-1H-benzo[d]imidazole-5-carboxamide1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1s,4s)-4-(trifluoromethyl)cyclohexyl)methyl)-1H-benzo[d]imidazole-5-carboxamide | US10301261, Compound BE-18.1 | US10301261, Compound BE-18.2 | US10829448, Compound BE-18.2
Type:
Small organic molecule
Emp. Form.:
C28H32F3N3O3S
Mol. Mass.:
547.632
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(C[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)cc1 |wU:23.23,wD:26.30,(-11.6,8.98,;-10.27,9.75,;-8.93,8.98,;-8.16,10.31,;-9.7,7.64,;-7.6,8.21,;-7.6,6.67,;-6.27,5.9,;-4.93,6.67,;-3.6,5.9,;-2.26,6.67,;-.93,5.9,;-.93,4.36,;.4,6.67,;.4,8.21,;1.74,8.98,;3.07,8.21,;4.53,8.68,;5.01,10.15,;4.69,11.66,;6.16,11.18,;5.44,7.44,;6.98,7.44,;7.75,6.1,;9.29,6.1,;10.06,4.77,;9.29,3.44,;7.75,3.44,;6.98,4.77,;10.06,2.1,;9.29,.77,;10.83,.77,;11.6,2.1,;4.53,6.19,;3.07,6.67,;1.74,5.9,;-4.93,8.21,;-6.27,8.98,)|
Structure:
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