Reaction Details  Report a problem with these data
Target
Histamine H1 receptor
Ligand
BDBM50160828
Substrate
n/a
Meas. Tech.
ChEMBL_302917 (CHEMBL830377)
Ki
5.01±n/a nM
Citation
 Lewis, TA; Bayless, L; DiPesa, AJ; Eckman, JB; Gillard, M; Libertine, L; Scannell, RT; Wypij, DM; Young, MA 5-Lipoxygenase inhibition by N-hydroxycarbamates in dual-function compounds. Bioorg Med Chem Lett 15:1083-5 (2005) [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:
BDBM50160828
Synonyms:
CHEMBL366925 | N-hydroxycarbamate derivative
Type:
Small organic molecule
Emp. Form.:
C33H37F2N3O4
Mol. Mass.:
577.6614
SMILES:
COC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Structure:
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