Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50334440
Substrate
n/a
Meas. Tech.
ChEMBL_700634 (CHEMBL1648623)
Ki
4.4±n/a nM
Citation
 Manning, DD; Cioffi, CL; Usyatinsky, A; Fitzpatrick, K; Masih, L; Guo, C; Zhang, Z; Choo, SH; Sikkander, MI; Ryan, KN; Naginskaya, J; Hassler, C; Dobritsa, S; Wierschke, JD; Earley, WG; Butler, AS; Brady, CA; Barnes, NM; Cohen, ML; Guzzo, PR Novel serotonin type 3 receptor partial agonists for the potential treatment of irritable bowel syndrome. Bioorg Med Chem Lett 21:58-61 (2010) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 3A
Synonyms:
5-HT-3 | 5-HT3 | 5-HT3A | 5-HT3R | 5-hydroxytryptamine receptor 3 (5-HT3) | 5-hydroxytryptamine receptor 3A (5-HT3a) | 5-hydroxytryptamine receptor 3A (5HT3A) | 5HT3A_HUMAN | 5HT3R | HTR3 | HTR3A | Serotonin 3 (5-HT3) receptor | Serotonin 3 receptor (5HT3) | Serotonin receptor 3A | Serotonin-gated ion channel receptor | Serotonin-gated ion channel receptor 3
Type:
Protein
Mol. Mass.:
55283.27
Organism:
Homo sapiens (Human)
Description:
P46098
Residue:
478
Sequence:
MLLWVQQALLALLLPTLLAQGEARRSRNTTRPALLRLSDYLLTNYRKGVRPVRDWRKPTTVSIDVIVYAILNVDEKNQVLTTYIWYRQYWTDEFLQWNPEDFDNITKLSIPTDSIWVPDILINEFVDVGKSPNIPYVYIRHQGEVQNYKPLQVVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRLPEKVKSDRSVFMNQGEWELLGVLPYFREFSMESSNYYAEMKFYVVIRRRPLFYVVSLLLPSIFLMVMDIVGFYLPPNSGERVSFKITLLLGYSVFLIIVSDTLPATAIGTPLIGVYFVVCMALLVISLAETIFIVRLVHKQDLQQPVPAWLRHLVLERIAWLLCLREQSTSQRPPATSQATKTDDCSAMGNHCSHMGGPQDFEKSPRDRCSPPPPPREASLAVCGLLQELSSIRQFLEKRDEIREVARDWLRVGSVLDKLLFHIYLLAVLAYSITLVMLWSIWQYA
  
Inhibitor
Name:
BDBM50334440
Synonyms:
(R)-7-(quinuclidin-3-yl)-7,8-dihydropyrazolo[3,4,5-de]isoquinolin-6(2H)-one | CHEMBL1643881 | US8501729, 16
Type:
Small organic molecule
Emp. Form.:
C16H18N4O
Mol. Mass.:
282.3403
SMILES:
O=c1n(cc2[nH][nH]c3cccc1c23)[C@H]1CN2CCC1CC2 |r,wU:13.15,(-7.86,1.16,;-6.52,.38,;-5.19,1.14,;-3.85,.37,;-3.86,-1.17,;-2.7,-2.21,;-3.73,-3.95,;-5.19,-3.48,;-6.52,-4.25,;-7.86,-3.48,;-7.85,-1.94,;-6.52,-1.17,;-5.19,-1.94,;-5.2,2.68,;-6.53,3.44,;-6.53,4.98,;-5.19,5.75,;-3.86,4.98,;-3.86,3.45,;-5.37,3.95,;-5.05,4.59,)|
Structure:
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