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Articleid 50030107

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
Potassium-transporting ATPase alpha chain 1/subunit beta


(Sus scrofa (Pig))		BDBM50291158
PNG
(2-(4-Cyclohexyloxy-5-methyl-pyridin-2-yl)-3-naphth...)
Show SMILES Cc1cnc(cc1OC1CCCCC1)C(CO)Cc1cccc2ccccc12
Show InChI InChI=1S/C25H29NO2/c1-18-16-26-24(15-25(18)28-22-11-3-2-4-12-22)21(17-27)14-20-10-7-9-19-8-5-6-13-23(19)20/h5-10,13,15-16,21-22,27H,2-4,11-12,14,17H2,1H3
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n/an/a 500n/an/an/an/a6.4n/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against H+/K+ ATPase by using hog stomach membrane fractions (pH 6.4)

Bioorg Med Chem Lett 7: 527-532 (1997)


Article DOI: 10.1016/S0960-894X(97)00056-5
BindingDB Entry DOI: 10.7270/Q20V8CS4
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Sus scrofa (Pig))		BDBM50291162
PNG
(2-[4-(2,2-Dimethyl-propoxy)-5-methyl-pyridin-2-yl]...)
Show SMILES Cc1cnc(cc1OCC(C)(C)C)C(CO)Cc1cccc2ccccc12
Show InChI InChI=1S/C24H29NO2/c1-17-14-25-22(13-23(17)27-16-24(2,3)4)20(15-26)12-19-10-7-9-18-8-5-6-11-21(18)19/h5-11,13-14,20,26H,12,15-16H2,1-4H3
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n/an/a 600n/an/an/an/a6.4n/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against H+/K+ ATPase by using hog stomach membrane fractions (pH 6.4)

Bioorg Med Chem Lett 7: 527-532 (1997)


Article DOI: 10.1016/S0960-894X(97)00056-5
BindingDB Entry DOI: 10.7270/Q20V8CS4
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Sus scrofa (Pig))		BDBM50291156
PNG
(2-[2-((E)-1-Hydroxymethyl-2-naphthalen-1-yl-vinyl)...)
Show SMILES Cc1cnc(cc1OCc1ccccc1O)C(\CO)=C/c1cccc2ccccc12
Show InChI InChI=1S/C26H23NO3/c1-18-15-27-24(14-26(18)30-17-21-8-3-5-12-25(21)29)22(16-28)13-20-10-6-9-19-7-2-4-11-23(19)20/h2-15,28-29H,16-17H2,1H3/b22-13-
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n/an/a 900n/an/an/an/a6.4n/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against H+/K+ ATPase by using hog stomach membrane fractions (pH 6.4)

Bioorg Med Chem Lett 7: 527-532 (1997)


Article DOI: 10.1016/S0960-894X(97)00056-5
BindingDB Entry DOI: 10.7270/Q20V8CS4
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Sus scrofa (Pig))		BDBM50291159
PNG
((E)-2-[4-(2-Methoxy-benzyloxy)-5-methyl-pyridin-2-...)
Show SMILES COc1ccccc1COc1cc(ncc1C)C(\CO)=C/c1cccc2ccccc12
Show InChI InChI=1S/C27H25NO3/c1-19-16-28-25(15-27(19)31-18-22-9-4-6-13-26(22)30-2)23(17-29)14-21-11-7-10-20-8-3-5-12-24(20)21/h3-16,29H,17-18H2,1-2H3/b23-14-
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n/an/a 1.70E+3n/an/an/an/a6.4n/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against H+/K+ ATPase by using hog stomach membrane fractions (pH 6.4)

Bioorg Med Chem Lett 7: 527-532 (1997)


Article DOI: 10.1016/S0960-894X(97)00056-5
BindingDB Entry DOI: 10.7270/Q20V8CS4
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Sus scrofa (Pig))		BDBM50291157
PNG
(2-[2-(1-Hydroxymethyl-2-naphthalen-1-yl-ethyl)-5-m...)
Show SMILES Cc1cnc(cc1OCc1ccccc1O)C(CO)Cc1cccc2ccccc12
Show InChI InChI=1S/C26H25NO3/c1-18-15-27-24(14-26(18)30-17-21-8-3-5-12-25(21)29)22(16-28)13-20-10-6-9-19-7-2-4-11-23(19)20/h2-12,14-15,22,28-29H,13,16-17H2,1H3
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n/an/a 1.80E+3n/an/an/an/a6.4n/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against H+/K+ ATPase by using hog stomach membrane fractions (pH 6.4)

Bioorg Med Chem Lett 7: 527-532 (1997)


Article DOI: 10.1016/S0960-894X(97)00056-5
BindingDB Entry DOI: 10.7270/Q20V8CS4
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Sus scrofa (Pig))		BDBM50291160
PNG
(2-[5-Methyl-4-(3-methyl-but-2-enyloxy)-pyridin-2-y...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cc(ncc1-[#6])-[#6](-[#6]-[#8])-[#6]-c1cccc2ccccc12
Show InChI InChI=1S/C24H27NO2/c1-17(2)11-12-27-24-14-23(25-15-18(24)3)21(16-26)13-20-9-6-8-19-7-4-5-10-22(19)20/h4-11,14-15,21,26H,12-13,16H2,1-3H3
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n/an/a 3.00E+3n/an/an/an/a6.4n/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against H+/K+ ATPase by using hog stomach membrane fractions (pH 6.4)

Bioorg Med Chem Lett 7: 527-532 (1997)


Article DOI: 10.1016/S0960-894X(97)00056-5
BindingDB Entry DOI: 10.7270/Q20V8CS4
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Sus scrofa (Pig))		BDBM50291161
PNG
(2-(4-Cyclohexylmethoxy-5-methyl-pyridin-2-yl)-3-na...)
Show SMILES Cc1cnc(cc1OCC1CCCCC1)C(CO)Cc1cccc2ccccc12
Show InChI InChI=1S/C26H31NO2/c1-19-16-27-25(15-26(19)29-18-20-8-3-2-4-9-20)23(17-28)14-22-12-7-11-21-10-5-6-13-24(21)22/h5-7,10-13,15-16,20,23,28H,2-4,8-9,14,17-18H2,1H3
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n/an/a 3.10E+3n/an/an/an/a6.4n/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against H+/K+ ATPase by using hog stomach membrane fractions (pH 6.4)

Bioorg Med Chem Lett 7: 527-532 (1997)


Article DOI: 10.1016/S0960-894X(97)00056-5
BindingDB Entry DOI: 10.7270/Q20V8CS4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%