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Target
Histamine H1 receptor
Ligand
BDBM50112348
Substrate
n/a
Meas. Tech.
ChEMBL_1513234 (CHEMBL3610942)
IC50
>30000±n/a nM
Citation
 Karpov, AS; Amiri, P; Bellamacina, C; Bellance, MH; Breitenstein, W; Daniel, D; Denay, R; Fabbro, D; Fernandez, C; Galuba, I; Guerro-Lagasse, S; Gutmann, S; Hinh, L; Jahnke, W; Klopp, J; Lai, A; Lindvall, MK; Ma, S; Möbitz, H; Pecchi, S; Rummel, G; Shoemaker, K; Trappe, J; Voliva, C; Cowan-Jacob, SW; Marzinzik, AL Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. ACS Med Chem Lett 6:776-81 (2015) [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:
BDBM50112348
Synonyms:
CHEMBL3609372
Type:
Small organic molecule
Emp. Form.:
C23H25ClF3N5O
Mol. Mass.:
479.926
SMILES:
CC(C)NC(=O)N1CC[C@@H](C1)NC1=Nc2cc(F)ccc2N(CC(F)F)c2ccc(Cl)cc12 |r,t:13|
Structure:
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