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3 similar compounds to monomer 50103073

Compile data set for download or QSAR
Wt: 258.3
BDBM50019606
Wt: 320.4
BDBM50019610
Wt: 320.4
BDBM50103071

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50019606,50019610,50103071   
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))
BDBM50103071
PNG
(1-(3-Phenyl-propyl)-2-piperazin-1-yl-1H-benzoimida...)
Show SMILES C(Cc1ccccc1)Cn1c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C20H24N4/c1-2-7-17(8-3-1)9-6-14-24-19-11-5-4-10-18(19)22-20(24)23-15-12-21-13-16-23/h1-5,7-8,10-11,21H,6,9,12-16H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00417-6
BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019610
PNG
(2-(4-Methyl-piperazin-1-yl)-1-phenethyl-1H-benzoim...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1CCc1ccccc1
Show InChI InChI=1S/C20H24N4/c1-22-13-15-23(16-14-22)20-21-18-9-5-6-10-19(18)24(20)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum


J Med Chem 29: 1178-83 (1987)


Article DOI: 10.1021/jm00157a010
BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50019606
PNG
(2-(4-Methyl-piperazin-1-yl)-1-propyl-1H-benzoimida...)
Show SMILES CCCn1c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C15H22N4/c1-3-8-19-14-7-5-4-6-13(14)16-15(19)18-11-9-17(2)10-12-18/h4-7H,3,8-12H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum


J Med Chem 29: 1178-83 (1987)


Article DOI: 10.1021/jm00157a010
BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair