Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A
Ligand
BDBM50528722
Substrate
n/a
Meas. Tech.
ChEMBL_1906158 (CHEMBL4408516)
IC50
710±n/a nM
Citation
 Xue, Y; He, X; Yang, T; Wang, Y; Liu, Z; Zhang, G; Wang, Y; Wang, K; Zhang, L; Zhang, L Discovery of fused heterocyclic carboxamide derivatives as novel ?7-nAChR agonists: Synthesis, preliminary SAR and biological evaluation. Eur J Med Chem 182:0 (2019) [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:
BDBM50528722
Synonyms:
CHEMBL4453847
Type:
Small organic molecule
Emp. Form.:
C20H21N3O
Mol. Mass.:
319.4002
SMILES:
O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3ccccc3n2c1 |r,wD:3.2,(16.19,-4.96,;15.4,-6.28,;16.16,-7.62,;17.7,-7.64,;18.44,-8.99,;19.98,-9.02,;20.77,-7.7,;20.02,-6.36,;18.48,-6.33,;18.69,-7.65,;19.74,-7.81,;13.87,-6.26,;12.98,-5,;11.5,-5.47,;10.17,-4.68,;8.83,-5.45,;8.83,-6.98,;7.49,-7.74,;7.48,-9.27,;8.81,-10.06,;10.15,-9.3,;10.16,-7.76,;11.49,-7.01,;12.95,-7.49,)|
Structure:
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