Reaction Details Report a problem with these data
Target
Histamine H1 receptor
Ligand
BDBM50137649
Substrate
n/a
Meas. Tech.
ChEMBL_1549480 (CHEMBL3755806)
Ki
8128±n/a nM
Citation
 Hammer, SG; Gobleder, S; Naporra, F; Wittmann, HJ; Elz, S; Heinrich, MR; Strasser, A 2,4-Diaminopyrimidines as dual ligands at the histamine H1 and H4 receptor-H1/H4-receptor selectivity. Bioorg Med Chem Lett 26:292-300 (2016) [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:
BDBM50137649
Synonyms:
CHEMBL3753621
Type:
Small organic molecule
Emp. Form.:
C25H29N5
Mol. Mass.:
399.5313
SMILES:
CN1CCN(CC1)c1nc(NCCc2ccccc2)c2CCc3ccccc3-c2n1
Structure:
Search PDB for entries with ligand similarity: