BindingDB logo
myBDB logout

null

SMILES: CCN(CC)c1ccc2cc(C(=O)NCCCOc3cccc4c(nn(C)c34)C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c(=O)oc2c1

InChI Key: InChIKey=STOPSEQYAMSLCO-DQEYMECFSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50363294   
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))		BDBM50363294
PNG
(CHEMBL1945838)
Show SMILES CCN(CC)c1ccc2cc(C(=O)NCCCOc3cccc4c(nn(C)c34)C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c(=O)oc2c1 |r,TLB:40:39:34.35.36:38.31.32|
Show InChI InChI=1S/C35H44N6O5/c1-5-41(6-2)26-15-14-22-18-28(35(44)46-30(22)21-26)33(42)36-16-9-17-45-29-13-8-12-27-31(38-40(4)32(27)29)34(43)37-23-19-24-10-7-11-25(20-23)39(24)3/h8,12-15,18,21,23-25H,5-7,9-11,16-17,19-20H2,1-4H3,(H,36,42)(H,37,43)/t24-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 157n/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