Reaction Details Report a problem with these data
Target
Histamine H1 receptor
Ligand
BDBM50529273
Substrate
n/a
Meas. Tech.
ChEMBL_1908194 (CHEMBL4410552)
IC50
4.7±n/a nM
Citation
 Li, F; Xu, Q; Zhu, Q; Chu, Z; Lin, G; Mo, J; Zhao, Y; Li, J; He, G; Xu, Y Design, synthesis and biological evaluation of novel desloratadine derivatives with anti-inflammatory and H Bioorg Med Chem Lett 29:0 (2019) [PubMed]  Article 
Target
Name:
Histamine H1 receptor
Synonyms:
H1R | HH1R | HISTAMINE H1 | HRH1 | HRH1_HUMAN
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
55808.72
Organism:
Homo sapiens (Human)
Description:
Cell pellets from SK-N-MC cells transfected with human H1 receptor were used in binding assay.
Residue:
487
Sequence:
MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS
  
Inhibitor
Name:
BDBM50529273
Synonyms:
CHEMBL4556553
Type:
Small organic molecule
Emp. Form.:
C28H28ClFN2O2
Mol. Mass.:
478.986
SMILES:
[#8]-[#6](-[#6]-[#8]-c1ccccc1F)-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Structure:
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