Reaction Details Report a problem with these data
Target
Transcription factor p65
Ligand
BDBM158531
Substrate
n/a
Meas. Tech.
ChEMBL_1701708 (CHEMBL4052941)
IC50
>20000±n/a nM
Citation
 Castanedo, GM; Blaquiere, N; Beresini, M; Bravo, B; Brightbill, H; Chen, J; Cui, HF; Eigenbrot, C; Everett, C; Feng, J; Godemann, R; Gogol, E; Hymowitz, S; Johnson, A; Kayagaki, N; Kohli, PB; Knüppel, K; Kraemer, J; Krüger, S; Loke, P; McEwan, P; Montalbetti, C; Roberts, DA; Smith, M; Steinbacher, S; Sujatha-Bhaskar, S; Takahashi, R; Wang, X; Wu, LC; Zhang, Y; Staben, ST Structure-Based Design of Tricyclic NF-?B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J Med Chem 60:627-640 (2017) [PubMed]  Article 
Target
Name:
Transcription factor p65
Synonyms:
NFKB3 | Nuclear factor NF-kappa-B | Nuclear factor NF-kappa-B p65 subunit | RELA | TF65_HUMAN | v-rel reticuloendotheliosis viral oncogene homolog A isoform 1
Type:
Enzyme
Mol. Mass.:
60211.92
Organism:
Homo sapiens (Human)
Description:
Q04206
Residue:
551
Sequence:
MDELFPLIFPAEPAQASGPYVEIIEQPKQRGMRFRYKCEGRSAGSIPGERSTDTTKTHPTIKINGYTGPGTVRISLVTKDPPHRPHPHELVGKDCRDGFYEAELCPDRCIHSFQNLGIQCVKKRDLEQAISQRIQTNNNPFQVPIEEQRGDYDLNAVRLCFQVTVRDPSGRPLRLPPVLSHPIFDNRAPNTAELKICRVNRNSGSCLGGDEIFLLCDKVQKEDIEVYFTGPGWEARGSFSQADVHRQVAIVFRTPPYADPSLQAPVRVSMQLRRPSDRELSEPMEFQYLPDTDDRHRIEEKRKRTYETFKSIMKKSPFSGPTDPRPPPRRIAVPSRSSASVPKPAPQPYPFTSSLSTINYDEFPTMVFPSGQISQASALAPAPPQVLPQAPAPAPAPAMVSALAQAPAPVPVLAPGPPQAVAPPAPKPTQAGEGTLSEALLQLQFDDEDLGALLGNSTDPAVFTDLASVDNSEFQQLLNQGIPVAPHTTEPMLMEYPEAITRLVTGAQRPPDPAPAPLGAPGLPNGLLSGDEDFSSIADMDFSALLSQISS
  
Inhibitor
Name:
BDBM158531
Synonyms:
US9034866, 6
Type:
Small organic molecule
Emp. Form.:
C20H17FN4O4
Mol. Mass.:
396.3718
SMILES:
Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O |r|
Structure:
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