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BDBM50426730 CHEMBL2322133

SMILES: CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCNC(=O)CCn3cc(CCN)c4cc(O)ccc34)c3ccc(cc3oc2c1)=[N+](C)C

InChI Key: InChIKey=FBGLUXQASNAMOM-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50426730   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50426730
PNG
(CHEMBL2322133)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCNC(=O)CCn3cc(CCN)c4cc(O)ccc34)c3ccc(cc3oc2c1)=[N+](C)C
Show InChI InChI=1S/C43H48N6O6/c1-47(2)29-9-13-33-38(23-29)55-39-24-30(48(3)4)10-14-34(39)41(33)32-12-8-27(22-36(32)43(53)54)42(52)46-20-7-5-6-19-45-40(51)17-21-49-26-28(16-18-44)35-25-31(50)11-15-37(35)49/h8-15,22-26H,5-7,16-21,44H2,1-4H3,(H3-,45,46,50,51,52,53,54)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 83n/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal-His6-tagged 5HT3A receptor (unknown origin) expressed in HEK293 cells after 2 hrs by fluorimetric analysis


Bioorg Med Chem Lett 23: 773-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.082
BindingDB Entry DOI: 10.7270/Q2JD4Z35
More data for this
Ligand-Target Pair