Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM50446287
Substrate
n/a
Meas. Tech.
ChEMBL_1288040 (CHEMBL3110543)
IC50
6.0±n/a nM
Citation
 Yang, T; Liu, Q; Cheng, Y; Cai, W; Ma, Y; Yang, L; Wu, Q; Orband-Miller, LA; Zhou, L; Xiang, Z; Huxdorf, M; Zhang, W; Zhang, J; Xiang, JN; Leung, S; Qiu, Y; Zhong, Z; Elliott, JD; Lin, X; Wang, Y Discovery of Tertiary Amine and Indole Derivatives as Potent ROR?t Inverse Agonists. ACS Med Chem Lett 5:65-8 (2014) [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:
BDBM50446287
Synonyms:
CHEMBL3109231
Type:
Small organic molecule
Emp. Form.:
C27H25N3O3S
Mol. Mass.:
471.571
SMILES:
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(CCc4ccc(cc4)C#N)ccc3c2)cc1
Structure:
Search PDB for entries with ligand similarity: