Reaction Details Report a problem with these data
Target
Histamine H1 receptor
Ligand
BDBM50290742
Substrate
n/a
Meas. Tech.
ChEBML_84418
IC50
4.6±n/a nM
Citation
Vaz, RJ; Maynard, GD; Kudlacz, EM; Bratton, LD; Kane, JM; Shatzer, SA; Knippenberg, RW Use of CoMFA in validating the conformation used in designing 4-(1H-benzimidazole-2-carbonyl)piperidines with H1/NK1 receptor antagonist activity Bioorg Med Chem Lett 7:2825-2830 (1997) Article
More Info.:
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:
BDBM50290742
Synonyms:
4-[2-(1-{2-[3-(3,4-Dimethoxy-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-piperidine-4-carbonyl)-benzoimidazol-1-ylmethyl]-benzoic acid | CHEMBL273915
Type:
Small organic molecule
Emp. Form.:
C45H50N4O9
Mol. Mass.:
790.8999
SMILES:
COc1ccc(cc1OC)C1(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(cc2)C(O)=O)CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1