Reaction Details  Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM50594741
Substrate
n/a
Meas. Tech.
ChEMBL_2213992 (CHEMBL5127124)
IC50
32±n/a nM
Citation
 Li, Z; Liu, T; He, X; Bai, C The evolution paths of some reprehensive scaffolds of ROR?t modulators, a perspective from medicinal chemistry. Eur J Med Chem 228:0 (2022) [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:
BDBM50594741
Synonyms:
CHEMBL5205088
Type:
Small organic molecule
Emp. Form.:
C25H32ClN5O2
Mol. Mass.:
470.007
SMILES:
C[C@H]1CN(Cc2cc(Cl)cc(NC(=O)c3cnc(C)nc3)c2C)CCN1C(=O)C1CCCC1 |r|
Structure:
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