Reaction Details Report a problem with these data
Target
NEDD8-activating enzyme E1 regulatory subunit
Ligand
BDBM50562351
Substrate
n/a
Meas. Tech.
ChEMBL_2078172 (CHEMBL4733963)
IC50
6670±n/a nM
Citation
 Chen, X; Yang, X; Mao, F; Wei, J; Xu, Y; Li, B; Zhu, J; Ni, S; Jia, L; Li, J Development of novel benzimidazole-derived neddylation inhibitors for suppressing tumor growth invitro and invivo. Eur J Med Chem 210:0 (2021) [PubMed]  Article 
Target
Name:
NEDD8-activating enzyme E1 regulatory subunit
Synonyms:
APP-BP1 | APPBP1 | Amyloid beta precursor protein-binding protein 1, 59 kDa | Amyloid protein-binding protein 1 | NAE1 | Proto-oncogene protein 1 | ULA1_HUMAN
Type:
PROTEIN
Mol. Mass.:
60233.54
Organism:
Homo sapiens (Human)
Description:
ChEMBL_939705
Residue:
534
Sequence:
MAQLGKLLKEQKYDRQLRLWGDHGQEALESAHVCLINATATGTEILKNLVLPGIGSFTIIDGNQVSGEDAGNNFFLQRSSIGKNRAEAAMEFLQELNSDVSGSFVEESPENLLDNDPSFFCRFTVVVATQLPESTSLRLADVLWNSQIPLLICRTYGLVGYMRIIIKEHPVIESHPDNALEDLRLDKPFPELREHFQSYDLDHMEKKDHSHTPWIVIIAKYLAQWYSETNGRIPKTYKEKEDFRDLIRQGILKNENGAPEDEENFEEAIKNVNTALNTTQIPSSIEDIFNDDRCINITKQTPSFWILARALKEFVAKEGQGNLPVRGTIPDMIADSGKYIKLQNVYREKAKKDAAAVGNHVAKLLQSIGQAPESISEKELKLLCSNSAFLRVVRCRSLAEEYGLDTINKDEIISSMDNPDNEIVLYLMLRAVDRFHKQQGRYPGVSNYQVEEDIGKLKSCLTGFLQEYGLSVMVKDDYVHEFCRYGAAEPHTIAAFLGGAAAQEVIKIITKQFVIFNNTYIYSGMSQTSATFQL
  
Inhibitor
Name:
BDBM50562351
Synonyms:
CHEMBL4746177
Type:
Small organic molecule
Emp. Form.:
C32H27Cl2N7O2
Mol. Mass.:
612.508
SMILES:
CCOc1nc2cccc(C(=O)NCCc3cc(Cl)ccc3Cl)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Structure:
Search PDB for entries with ligand similarity: