Reaction Details Report a problem with these data
Target
Histamine H3 receptor
Ligand
BDBM50352086
Substrate
n/a
Meas. Tech.
ChEMBL_766550 (CHEMBL1827031)
Ki
0.17±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:
G-protein coupled receptor 97 | GPCR97 | HH3R | HISTAMINE H3 | HRH3 | HRH3_HUMAN | Histamine H3 receptor (H3) | Histamine H3L | Histamine receptor (H3 and H4)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
48691.47
Organism:
Human
Description:
Binding assays were using CHO cells stably expressing hH3R receptors.
Residue:
445
Sequence:
MERAPPDGPLNASGALAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGAREAAGPEPPPEAQPSPPPPPGCWGCWQKGHGEAMPLHRYGVGEAAVGAEAGEATLGGGGGGGSVASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHCVPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLLCPQKLKIQPHSSLEHCWK
  
Inhibitor
Name:
BDBM50352086
Synonyms:
CHEMBL1824245
Type:
Small organic molecule
Emp. Form.:
C28H38N2O
Mol. Mass.:
418.6141
SMILES:
C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1Cc2ccccc2C1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(21.26,-32.26,;22.8,-32.26,;23.57,-30.93,;25.11,-30.93,;25.87,-32.27,;27.41,-32.28,;28.19,-30.95,;27.42,-29.61,;25.88,-29.6,;29.73,-30.96,;30.49,-32.3,;32.02,-32.32,;32.81,-30.99,;32.05,-29.65,;30.5,-29.63,;34.35,-31,;35.24,-32.26,;36.71,-31.79,;38.03,-32.57,;39.37,-31.82,;39.38,-30.27,;38.06,-29.5,;36.72,-30.25,;35.26,-29.76,;20.49,-30.92,;18.95,-30.92,;18.18,-32.25,;16.64,-32.25,;15.87,-30.92,;16.64,-29.59,;18.18,-29.59,)|
Structure:
Search PDB for entries with ligand similarity: