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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM50214494'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50214494
PNG
(CHEMBL142852 | RS-33800)
Show SMILES CC(C)n1cnc2c(cc(Cl)cc12)C(=O)NC1CC2CCC(C1)N2C |TLB:15:16:23:19.20|
Show InChI InChI=1S/C19H25ClN4O/c1-11(2)24-10-21-18-16(6-12(20)7-17(18)24)19(25)22-13-8-14-4-5-15(9-13)23(14)3/h6-7,10-11,13-15H,4-5,8-9H2,1-3H3,(H,22,25)
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PC cid
PC sid
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Similars

1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H]-BRL 43694 from NG-108-15 cell membranes


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2D49
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50214494
PNG
(CHEMBL142852 | RS-33800)
Show SMILES CC(C)n1cnc2c(cc(Cl)cc12)C(=O)NC1CC2CCC(C1)N2C |TLB:15:16:23:19.20|
Show InChI InChI=1S/C19H25ClN4O/c1-11(2)24-10-21-18-16(6-12(20)7-17(18)24)19(25)22-13-8-14-4-5-15(9-13)23(14)3/h6-7,10-11,13-15H,4-5,8-9H2,1-3H3,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H](R)-zacopride from ondansetron-treated NG-108-15 cell membranes


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2D49
More data for this
Ligand-Target Pair