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Compile Data Set for Download or QSAR

Found 6 hits from Ajou University   
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
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50241343
PNG
((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
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Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Ajou University

Curated by ChEMBL


Assay Description
Inhibition of H+/K+ ATPase activity in buffered solution (pH 7.4)


Bioorg Med Chem Lett 8: 1909-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00334-5
BindingDB Entry DOI: 10.7270/Q2NS0T28
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50071078
PNG
(2-[2-(4-Methoxy-3,5-dimethyl-pyridin-2-yl)-ethyl]-...)
Show SMILES COc1c(C)cnc(CCC2(C)Nc3cc(ccc3S2)C(F)(F)F)c1C
Show InChI InChI=1S/C19H21F3N2OS/c1-11-10-23-14(12(2)17(11)25-4)7-8-18(3)24-15-9-13(19(20,21)22)5-6-16(15)26-18/h5-6,9-10,24H,7-8H2,1-4H3
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PC cid
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Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Ajou University

Curated by ChEMBL


Assay Description
Inhibition of H+/K+ ATPase activity in buffered solution (pH 7.4)


Bioorg Med Chem Lett 8: 1909-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00334-5
BindingDB Entry DOI: 10.7270/Q2NS0T28
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50071079
PNG
(5-Fluoro-2-[2-(4-methoxy-3,5-dimethyl-pyridin-2-yl...)
Show SMILES COc1c(C)cnc(CCC2(C)Nc3cc(F)ccc3S2)c1C
Show InChI InChI=1S/C18H21FN2OS/c1-11-10-20-14(12(2)17(11)22-4)7-8-18(3)21-15-9-13(19)5-6-16(15)23-18/h5-6,9-10,21H,7-8H2,1-4H3
PDB

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PC cid
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UniChem

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Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



Ajou University

Curated by ChEMBL


Assay Description
Inhibition of H+/K+ ATPase activity in buffered solution (pH 7.4)


Bioorg Med Chem Lett 8: 1909-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00334-5
BindingDB Entry DOI: 10.7270/Q2NS0T28
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50071080
PNG
(2-[2-(4-Methoxy-3,5-dimethyl-pyridin-2-yl)-ethyl]-...)
Show SMILES COc1c(C)cnc(CCC2(C)Nc3ccccc3S2)c1C
Show InChI InChI=1S/C18H22N2OS/c1-12-11-19-14(13(2)17(12)21-4)9-10-18(3)20-15-7-5-6-8-16(15)22-18/h5-8,11,20H,9-10H2,1-4H3
PDB

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Article
PubMed
n/an/a 9.80E+4n/an/an/an/an/an/a



Ajou University

Curated by ChEMBL


Assay Description
Inhibition of H+/K+ ATPase activity in buffered solution (pH 7.4)


Bioorg Med Chem Lett 8: 1909-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00334-5
BindingDB Entry DOI: 10.7270/Q2NS0T28
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50071077
PNG
(5-Chloro-2-[2-(4-methoxy-3,5-dimethyl-pyridin-2-yl...)
Show SMILES COc1c(C)cnc(CCC2(C)Nc3cc(Cl)ccc3S2)c1C
Show InChI InChI=1S/C18H21ClN2OS/c1-11-10-20-14(12(2)17(11)22-4)7-8-18(3)21-15-9-13(19)5-6-16(15)23-18/h5-6,9-10,21H,7-8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Ajou University

Curated by ChEMBL


Assay Description
Inhibition of H+/K+ ATPase activity in buffered solution (pH 7.4)


Bioorg Med Chem Lett 8: 1909-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00334-5
BindingDB Entry DOI: 10.7270/Q2NS0T28
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain


(Homo sapiens)
BDBM50071081
PNG
(2-[(E)-2-(4-Methoxy-3,5-dimethyl-pyridin-2-yl)-vin...)
Show SMILES COc1c(C)cnc(\C=C\C2(C)Nc3ccccc3S2)c1C
Show InChI InChI=1S/C18H20N2OS/c1-12-11-19-14(13(2)17(12)21-4)9-10-18(3)20-15-7-5-6-8-16(15)22-18/h5-11,20H,1-4H3/b10-9+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Ajou University

Curated by ChEMBL


Assay Description
Inhibition of H+/K+ ATPase activity in buffered solution (pH 7.4)


Bioorg Med Chem Lett 8: 1909-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00334-5
BindingDB Entry DOI: 10.7270/Q2NS0T28
More data for this
Ligand-Target Pair