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SMILES: CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCOc3cccc4c(nn(C)c34)C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c(=O)oc2c1

InChI Key: InChIKey=BWUVAZMPSVZMLB-NSOVKSMOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50363295   
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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50363295
PNG
(CHEMBL1946154)
Show SMILES CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCOc3cccc4c(nn(C)c34)C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c(=O)oc2c1 |r,TLB:45:44:39.40.41:43.36.37|
Show InChI InChI=1S/C38H50N6O7/c1-5-44(6-2)29-14-13-25-21-31(38(47)51-33(25)24-29)36(45)39-15-16-48-17-18-49-19-20-50-32-12-8-11-30-34(41-43(4)35(30)32)37(46)40-26-22-27-9-7-10-28(23-26)42(27)3/h8,11-14,21,24,26-28H,5-7,9-10,15-20,22-23H2,1-4H3,(H,39,45)(H,40,46)/t27-,28-/m0/s1
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Article
PubMed
 1.30E+3n/an/an/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting

Bioorg Med Chem Lett 22: 1151-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.097
BindingDB Entry DOI: 10.7270/Q237795K
More data for this
Ligand-Target Pair