Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM414250
Substrate
n/a
Meas. Tech.
ChEMBL_2060118 (CHEMBL4715119)
EC50
4.0±n/a nM
Citation
 Liu, Q; Xiao, HY; Batt, DG; Xiao, Z; Zhu, Y; Yang, MG; Li, N; Yip, S; Li, P; Sun, D; Wu, DR; Ruzanov, M; Sack, JS; Weigelt, CA; Wang, J; Li, S; Shuster, DJ; Xie, JH; Song, Y; Sherry, T; Obermeier, MT; Fura, A; Stefanski, K; Cornelius, G; Chacko, S; Khandelwal, P; Dudhgaonkar, S; Rudra, A; Nagar, J; Murali, V; Govindarajan, A; Denton, R; Zhao, Q; Meanwell, NA; Borzilleri, R; Dhar, TGM Azatricyclic Inverse Agonists of ROR?t That Demonstrate Efficacy in Models of Rheumatoid Arthritis and Psoriasis. ACS Med Chem Lett 12:827-835 (2021) [PubMed]  Article 
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:
BDBM414250
Synonyms:
US10435369, Example 137
Type:
Small organic molecule
Emp. Form.:
C26H25F8NO4S
Mol. Mass.:
599.533
SMILES:
CC(C)(O)C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Structure:
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