Reaction Details Report a problem with these data
Target
Histamine receptor H3
Ligand
BDBM247451
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
Ki
35.3±n/a nM
Citation
 Gao, Z Substituted phenyl cycloalkyl pyrrolidine (piperidine) spirolactams and amides, preparation and therapeutic use thereof US Patent  US9453023 Publication Date 9/27/2016 
Target
Name:
Histamine receptor H3
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
48611.84
Organism:
Macaca mulatta (Rhesus macaque)
Description:
Q865E1
Residue:
445
Sequence:
MERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGNTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAGGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAAGAEAGETALGGGGGGGSAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEQCWK
  
Inhibitor
Name:
BDBM247451
Synonyms:
US9453023, 10
Type:
Small organic molecule
Emp. Form.:
C25H36N2O2
Mol. Mass.:
396.5655
SMILES:
C[C@@H]1CCCN1[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCC2(CCOCC2)C1=O |r,wU:9.13,1.0,wD:6.6,(6.5,-3.36,;7.27,-2.02,;8.74,-1.55,;8.74,-.01,;7.27,.47,;6.37,-.78,;4.83,-.78,;4.06,.56,;2.52,.56,;1.75,-.78,;2.52,-2.11,;4.06,-2.11,;.21,-.78,;-.56,-2.11,;-2.1,-2.11,;-2.87,-.78,;-2.1,.56,;-.56,.56,;-4.41,-.78,;-5.66,-1.68,;-6.9,-.78,;-6.43,.69,;-5.66,2.02,;-6.43,3.36,;-7.97,3.36,;-8.74,2.02,;-7.97,.69,;-4.89,.69,;-4.12,2.02,)|
Structure:
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