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Target
Nuclear receptor ROR-gamma
Ligand
BDBM50454144
Substrate
n/a
Meas. Tech.
ChEMBL_1752110 (CHEMBL4186870)
IC50
>30000±n/a nM
Citation
 Shirai, J; Tomata, Y; Kono, M; Ochida, A; Fukase, Y; Sato, A; Masada, S; Kawamoto, T; Yonemori, K; Koyama, R; Nakagawa, H; Nakayama, M; Uga, K; Shibata, A; Koga, K; Okui, T; Shirasaki, M; Skene, R; Sang, B; Hoffman, I; Lane, W; Fujitani, Y; Yamasaki, M; Yamamoto, S Discovery of orally efficacious ROR?t inverse agonists, part 1: Identification of novel phenylglycinamides as lead scaffolds. Bioorg Med Chem 26:483-500 (2018) [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:
BDBM50454144
Synonyms:
CHEMBL4209557
Type:
Small organic molecule
Emp. Form.:
C27H31N3O4
Mol. Mass.:
461.5527
SMILES:
COc1ccc(cc1)C(CN(C)C(=O)c1ccc(=O)[nH]c1)C(=O)Nc1ccc(cc1)C(C)(C)C
Structure:
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