Reaction Details Report a problem with these data
Target
Histamine H1 receptor
Ligand
BDBM50315205
Substrate
n/a
Meas. Tech.
ChEMBL_625162 (CHEMBL1115183)
Ki
0.7±n/a nM
Citation
 Li, BF; Moree, WJ; Yu, J; Coon, T; Zamani-Kord, S; Malany, S; Jalali, K; Wen, J; Wang, H; Yang, C; Hoare, SR; Petroski, RE; Madan, A; Crowe, PD; Beaton, G Selectivity profiling of novel indene H(1)-antihistamines for the treatment of insomnia. Bioorg Med Chem Lett 20:2629-33 (2010) [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:
BDBM50315205
Synonyms:
(R)-2-(6-fluoro-3-(1-(3-methoxypyrazin-2-yl)ethyl)-1H-inden-2-yl)-N,N-dimethylethanamine | CHEMBL1090526
Type:
Small organic molecule
Emp. Form.:
C20H24FN3O
Mol. Mass.:
341.4225
SMILES:
COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc12 |r,c:11|
Structure:
Search PDB for entries with ligand similarity: