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SMILES: CCN(CC)c1ccc2cc(C(=O)NCCOc3cccc4c(nn(C)c34)C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c(=O)oc2c1

InChI Key: InChIKey=KKQAFQIZABQOOY-ZEQRLZLVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50363293   
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))		BDBM50363293
PNG
(CHEMBL1945837)
Show SMILES CCN(CC)c1ccc2cc(C(=O)NCCOc3cccc4c(nn(C)c34)C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c(=O)oc2c1 |r,TLB:39:38:33.34.35:37.30.31|
Show InChI InChI=1S/C34H42N6O5/c1-5-40(6-2)25-14-13-21-17-27(34(43)45-29(21)20-25)32(41)35-15-16-44-28-12-8-11-26-30(37-39(4)31(26)28)33(42)36-22-18-23-9-7-10-24(19-22)38(23)3/h8,11-14,17,20,22-24H,5-7,9-10,15-16,18-19H2,1-4H3,(H,35,41)(H,36,42)/t23-,24-/m0/s1
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Similars
Article
PubMed
 1.90n/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