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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 4' and Ligand = 'BDBM85027'   
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


(RAT)
BDBM85027
PNG
(1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...)
Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3
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Article
PubMed
0.000400n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM85027
PNG
(1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...)
Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3
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UniChem

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Article
PubMed
0.000480n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM85027
PNG
(1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...)
Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3
PDB

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PubMed
0.000580n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM85027
PNG
(1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...)
Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3
PDB

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antibodypedia
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PC sid
UniChem

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Article
PubMed
0.000630n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM85027
PNG
(1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...)
Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3
PDB

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PC sid
UniChem

Patents

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




FASEB J 10: 1398-407 (1996)


Article DOI: 10.1096/fasebj.10.12.8903510
BindingDB Entry DOI: 10.7270/Q2TQ602G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(GUINEA PIG)
BDBM85027
PNG
(1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...)
Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3
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PC sid
UniChem

Patents

0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for binding affinity against 5-hydroxytryptamine 4 receptor using radioligand binding assay using [3H]GR as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2CTV
More data for this
Ligand-Target Pair