Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM50517588
Substrate
n/a
Meas. Tech.
ChEMBL_1869357 (CHEMBL4370423)
EC50
2.1±n/a nM
Citation
 Yukawa, T; Nara, Y; Kono, M; Sato, A; Oda, T; Takagi, T; Sato, T; Banno, Y; Taya, N; Imada, T; Shiokawa, Z; Negoro, N; Kawamoto, T; Koyama, R; Uchiyama, N; Skene, R; Hoffman, I; Chen, CH; Sang, B; Snell, G; Katsuyama, R; Yamamoto, S; Shirai, J Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor ?t (ROR?t) Agonist Structure-Based Functionality Switching Approach from In House ROR?t Inverse Agonist to ROR?t Agonist. J Med Chem 62:1167-1179 (2019) [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:
BDBM50517588
Synonyms:
CHEMBL4446140
Type:
Small organic molecule
Emp. Form.:
C32H36N4O6
Mol. Mass.:
572.6514
SMILES:
CCOc1ccccc1CN1CCc2cc(NC(=O)[C@@H]3N(CCc4nc(OC)ccc34)C(=O)CCCC(O)=O)ccc12 |r|
Structure:
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