Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503436
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
11.0±n/a nM
Citation
 Goldberg, S; Martin, CL; Fennema, EG; Wolin, RL; Fourie, AM; Xue, X Pyridinyl pyrazoles as modulators of RORγT US Patent  US11034658 Publication Date 6/15/2021 
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:
BDBM503436
Synonyms:
5-(4-(Difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-ethyl-N-(((1s,4s)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-4-methyl-1H-pyrazole-3-carboxamide | US11034658, Example 8
Type:
Small organic molecule
Emp. Form.:
C26H35F5N4O3
Mol. Mass.:
546.5731
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wU:9.8,wD:9.9,13.13,(-2.16,-2.8,;-2.79,-1.39,;-1.88,-.15,;-2.36,1.32,;-1.11,2.22,;-1.11,3.76,;.22,4.53,;-2.44,4.53,;-2.44,6.07,;-3.78,6.84,;-3.67,5.31,;-5.32,6.79,;-6.13,8.1,;-5.41,9.46,;-6.23,10.76,;-3.87,9.51,;-3.06,8.2,;.13,1.32,;1.6,1.8,;-.34,-.15,;.56,-1.39,;-.06,-2.8,;.84,-4.04,;2.37,-3.88,;3.28,-5.13,;4.81,-4.97,;4.97,-6.5,;4.65,-3.44,;6.34,-4.81,;7.87,-4.65,;6.5,-6.34,;6.18,-3.28,;3,-2.48,;2.1,-1.23,;2.72,.18,;4.25,.34,;4.88,1.74,;5.16,-.91,)|
Structure:
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