Reaction Details Report a problem with these data
Target
Histamine H1 receptor
Ligand
BDBM50416674
Substrate
n/a
Meas. Tech.
ChEMBL_651968 (CHEMBL1227641)
Ki
12.59±n/a nM
Citation
 Gianotti, M; Corti, C; Delle Fratte, S; Di Fabio, R; Leslie, CP; Pavone, F; Piccoli, L; Stasi, L; Wigglesworth, MJ Novel imidazobenzazepine derivatives as dual H1/5-HT2A antagonists for the treatment of sleep disorders. Bioorg Med Chem Lett 20:5069-73 (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:
BDBM50416674
Synonyms:
CHEMBL1222626
Type:
Small organic molecule
Emp. Form.:
C21H24N4O2
Mol. Mass.:
364.4409
SMILES:
OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)|
Structure:
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