Reaction Details Report a problem with these data
Target
Histamine H1 receptor
Ligand
BDBM50297309
Substrate
n/a
Meas. Tech.
ChEMBL_624292 (CHEMBL1106977)
Ki
12±n/a nM
Citation
 Moree, WJ; Jovic, F; Coon, T; Yu, J; Li, BF; Tucci, FC; Marinkovic, D; Gross, RS; Malany, S; Bradbury, MJ; Hernandez, LM; O'Brien, Z; Wen, J; Wang, H; Hoare, SR; Petroski, RE; Sacaan, A; Madan, A; Crowe, PD; Beaton, G Novel benzothiophene H1-antihistamines for the treatment of insomnia. Bioorg Med Chem Lett 20:2316-20 (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:
BDBM50297309
Synonyms:
(-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine | (-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzo[b]thiophen-2-yl]-ethyl}-amine | CHEMBL564144
Type:
Small organic molecule
Emp. Form.:
C19H22N2S
Mol. Mass.:
310.456
SMILES:
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ccccn1 |r|
Structure:
Search PDB for entries with ligand similarity: