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PubMed code 23707254

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50292603
PNG
(2-(pyrrolidin-1-yl)ethyl 10H-phenothiazine-10-carb...)
Show SMILES O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c22-19(23-14-13-20-11-5-6-12-20)21-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21/h1-4,7-10H,5-6,11-14H2
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 29n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor (unknown origin) by PDSP assay

Bioorg Med Chem Lett 23: 3822-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.082
BindingDB Entry DOI: 10.7270/Q2H133DC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50292604
PNG
(3-(diethylamino)propyl 10H-phenothiazine-10-carbox...)
Show SMILES CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H24N2O2S/c1-3-21(4-2)14-9-15-24-20(23)22-16-10-5-7-12-18(16)25-19-13-8-6-11-17(19)22/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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 430n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor (unknown origin) by PDSP assay

Bioorg Med Chem Lett 23: 3822-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.082
BindingDB Entry DOI: 10.7270/Q2H133DC
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50292603
PNG
(2-(pyrrolidin-1-yl)ethyl 10H-phenothiazine-10-carb...)
Show SMILES O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c22-19(23-14-13-20-11-5-6-12-20)21-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21/h1-4,7-10H,5-6,11-14H2
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 540n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H2 receptor (unknown origin) by PDSP assay

Bioorg Med Chem Lett 23: 3822-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.082
BindingDB Entry DOI: 10.7270/Q2H133DC
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50292604
PNG
(3-(diethylamino)propyl 10H-phenothiazine-10-carbox...)
Show SMILES CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H24N2O2S/c1-3-21(4-2)14-9-15-24-20(23)22-16-10-5-7-12-18(16)25-19-13-8-6-11-17(19)22/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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 1.40E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H2 receptor (unknown origin) by PDSP assay

Bioorg Med Chem Lett 23: 3822-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.082
BindingDB Entry DOI: 10.7270/Q2H133DC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50292603
PNG
(2-(pyrrolidin-1-yl)ethyl 10H-phenothiazine-10-carb...)
Show SMILES O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c22-19(23-14-13-20-11-5-6-12-20)21-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21/h1-4,7-10H,5-6,11-14H2
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 1.90E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT3 receptor (unknown origin) by PDSP assay

Bioorg Med Chem Lett 23: 3822-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.082
BindingDB Entry DOI: 10.7270/Q2H133DC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50292604
PNG
(3-(diethylamino)propyl 10H-phenothiazine-10-carbox...)
Show SMILES CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H24N2O2S/c1-3-21(4-2)14-9-15-24-20(23)22-16-10-5-7-12-18(16)25-19-13-8-6-11-17(19)22/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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 3.90E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Antagonist activity at serotonin 5HT3 receptor (unknown origin) by PDSP assay

Bioorg Med Chem Lett 23: 3822-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.082
BindingDB Entry DOI: 10.7270/Q2H133DC
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50219223
PNG
(1-(10H-phenothiazin-10-yl)-4-phenylbutan-1-one | C...)
Show SMILES O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C22H19NOS/c24-22(16-8-11-17-9-2-1-3-10-17)23-18-12-4-6-14-20(18)25-21-15-7-5-13-19(21)23/h1-7,9-10,12-15H,8,11,16H2
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 7.50E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H2 receptor (unknown origin) by PDSP assay

Bioorg Med Chem Lett 23: 3822-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.082
BindingDB Entry DOI: 10.7270/Q2H133DC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%