Reaction Details Report a problem with these data
Target
Histamine H3 receptor
Ligand
BDBM50352084
Substrate
n/a
Meas. Tech.
ChEMBL_766551 (CHEMBL1827032)
Ki
2.1±n/a nM
Citation
 Labeeuw, O; Levoin, N; Poupardin-Olivier, O; Calmels, T; Ligneau, X; Berrebi-Bertrand, I; Robert, P; Lecomte, JM; Schwartz, JC; Capet, M Novel and highly potent histamine H3 receptor ligands. Part 2: exploring the cyclohexylamine-based series. Bioorg Med Chem Lett 21:5384-8 (2011) [PubMed]  Article 
Target
Name:
Histamine H3 receptor
Synonyms:
HH3R | HRH3_MOUSE | Hrh3
Type:
PROTEIN
Mol. Mass.:
48560.37
Organism:
Mus musculus
Description:
ChEMBL_988451
Residue:
445
Sequence:
MERAPPDGLMNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCASSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMALVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGREAGPEPPPDAQPSPPPAPPSCWGCWPKGHGEAMPLHRYGVGEAGPGVETGEAGLGGGSGGGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHGSLEQCWK
  
Inhibitor
Name:
BDBM50352084
Synonyms:
CHEMBL1824247
Type:
Small organic molecule
Emp. Form.:
C27H38N2O
Mol. Mass.:
406.6034
SMILES:
C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)NCc1ccccc1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(-6.54,-1.94,;-5,-1.94,;-4.23,-.6,;-2.69,-.6,;-1.93,-1.95,;-.39,-1.96,;.39,-.63,;-.38,.71,;-1.92,.72,;1.93,-.63,;2.69,-1.98,;4.22,-1.99,;5,-.67,;4.24,.68,;2.7,.69,;6.54,-.67,;7.31,.66,;8.85,.66,;9.62,-.68,;11.16,-.68,;11.93,.65,;11.15,1.99,;9.62,1.98,;-7.31,-.6,;-8.85,-.6,;-9.62,-1.93,;-11.16,-1.93,;-11.93,-.6,;-11.16,.73,;-9.62,.73,)|
Structure:
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