Reaction Details Report a problem with these data
Target
Histamine H1 receptor
Ligand
BDBM50397516
Substrate
n/a
Meas. Tech.
ChEMBL_862026 (CHEMBL2173976)
Ki
25.12±n/a nM
Citation
 Bahl, A; Barton, P; Bowers, K; Brough, S; Evans, R; Luckhurst, CA; Mochel, T; Perry, MW; Rigby, A; Riley, RJ; Sanganee, H; Sisson, A; Springthorpe, B The discovery of CCR3/H1 dual antagonists with reduced hERG risk. Bioorg Med Chem Lett 22:6688-93 (2012) [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:
BDBM50397516
Synonyms:
CHEMBL2171021
Type:
Small organic molecule
Emp. Form.:
C25H30Cl2N2O4S
Mol. Mass.:
525.488
SMILES:
Cc1c(Cl)ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(c2)S(C)(=O)=O)c1Cl
Structure:
Search PDB for entries with ligand similarity: