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Compile Data Set for Download or QSAR

Found 5 hits of kd data for polymerid = 49000086,49000089,8334   
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 4 (5-HT4)


(Homo sapiens (Human))
BDBM50092543
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyrim...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C18H22ClN5O3/c1-26-16-12-15(20)14(19)11-13(16)17(25)27-10-9-23-5-7-24(8-6-23)18-21-3-2-4-22-18/h2-4,11-12H,5-10,20H2,1H3
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n/an/an/a 0.700n/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
,Antagonism of stimulation of 5-hydroxytryptamine receptor on the L-type calcium current (I Ca) in isolated human atrial myocytes


J Med Chem 43: 3761-9 (2000)


Article DOI: 10.1021/jm0009538
BindingDB Entry DOI: 10.7270/Q2CC0ZXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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PubMed
n/an/an/a 15.8n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT4 receptor expressed in HEK293 cells by saturation binding method


J Nat Prod 69: 1421-4 (2006)


Article DOI: 10.1021/np0601760
BindingDB Entry DOI: 10.7270/Q2H9950V
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM86175
PNG
(Methylhistaprodifen | N-Methyl-2-(3,3-diphenylprop...)
Show SMILES CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C21H25N3/c1-22-15-14-19-16-23-21(24-19)13-12-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,20,22H,12-15H2,1H3,(H,23,24)
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n/an/an/a>1.58E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards 5-hydroxytryptamine 4 receptor of rat


J Med Chem 43: 1071-84 (2000)


Article DOI: 10.1021/jm991056a
BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM86170
PNG
(Dimethylhistaprodifen | N,N-Dimethyl-2-(3,3-diphen...)
Show SMILES CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C22H27N3/c1-25(2)16-15-20-17-23-22(24-20)14-13-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,13-16H2,1-2H3,(H,23,24)
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n/an/an/a>1.58E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards 5-hydroxytryptamine 4 receptor of rat


J Med Chem 43: 1071-84 (2000)


Article DOI: 10.1021/jm991056a
BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM22864
PNG
(2-[2-(3,3-diphenylpropyl)-1H-imidazol-4-yl]ethan-1...)
Show SMILES NCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Show InChI InChI=1S/C20H23N3/c21-14-13-18-15-22-20(23-18)12-11-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14,21H2,(H,22,23)
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n/an/an/a>3.16E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was evaluated for its antagonist affinity towards 5-hydroxytryptamine 4 receptor of rat


J Med Chem 43: 1071-84 (2000)


Article DOI: 10.1021/jm991056a
BindingDB Entry DOI: 10.7270/Q2MC918D
More data for this
Ligand-Target Pair