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Target
Histamine H1 receptor
Ligand
BDBM50105109
Substrate
n/a
Meas. Tech.
ChEMBL_84419 (CHEMBL691451)
IC50
795±n/a nM
Citation
 Poulain, R; Horvath, D; Bonnet, B; Eckhoff, C; Chapelain, B; Bodinier, MC; Déprez, B From hit to lead. Analyzing structure-profile relationships. J Med Chem 44:3391-401 (2001) [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:
BDBM50105109
Synonyms:
4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazine-1-carboxylic acid 2-(4-cyano-phenyl)-ethyl ester | CHEMBL326263
Type:
Small organic molecule
Emp. Form.:
C30H31F2N3O2
Mol. Mass.:
503.5828
SMILES:
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: