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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'tanitame' and Initial = 'a'   
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))		BDBM50037078
PNG
(2-(Phenyl)-isothiazolo[5,4-b]pyridin-3(2H)-one | 2...)
Show SMILES O=c1n(sc2ncccc12)-c1ccccc1
Show InChI InChI=1S/C12H8N2OS/c15-12-10-7-4-8-13-11(10)16-14(12)9-5-2-1-3-6-9/h1-8H
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n/an/a 190n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcine gastric H+/K+ ATPase

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Sus scrofa (Pig))		BDBM50056046
PNG
(2-Pyridin-4-yl-isothiazolo[5,4-b]pyridin-3-one | C...)
Show SMILES O=c1n(sc2ncccc12)-c1ccncc1
Show InChI InChI=1S/C11H7N3OS/c15-11-9-2-1-5-13-10(9)16-14(11)8-3-6-12-7-4-8/h1-7H
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n/an/a 220n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcine gastric H+/K+ ATPase

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))		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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n/an/a 370n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))		BDBM50056043
PNG
(2-(2,4-Diethoxy-phenylmethanesulfinyl)-N-pyridin-4...)
Show SMILES CCOc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OCC)c1
Show InChI InChI=1S/C22H23N3O4S/c1-3-28-18-8-7-16(20(14-18)29-4-2)15-30(27)22-19(6-5-11-24-22)21(26)25-17-9-12-23-13-10-17/h5-14H,3-4,15H2,1-2H3,(H,23,25,26)
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n/an/a 400n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 408n/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase

J Med Chem 47: 3693-6 (2004)


Article DOI: 10.1021/jm030394f
BindingDB Entry DOI: 10.7270/Q2CN76N7
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 408n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))		BDBM50056045
PNG
(2-(2-Ethoxy-4-methoxy-phenylmethanesulfinyl)-N-pyr...)
Show SMILES CCOc1cc(OC)ccc1CS(=O)c1ncccc1C(=O)Nc1ccncc1
Show InChI InChI=1S/C21H21N3O4S/c1-3-28-19-13-17(27-2)7-6-15(19)14-29(26)21-18(5-4-10-23-21)20(25)24-16-8-11-22-12-9-16/h4-13H,3,14H2,1-2H3,(H,22,24,25)
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n/an/a 450n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))		BDBM50056041
PNG
(2-(2,4-Dimethoxy-6-methyl-phenylmethanesulfinyl)-N...)
Show SMILES COc1cc(C)c(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1
Show InChI InChI=1S/C21H21N3O4S/c1-14-11-16(27-2)12-19(28-3)18(14)13-29(26)21-17(5-4-8-23-21)20(25)24-15-6-9-22-10-7-15/h4-12H,13H2,1-3H3,(H,22,24,25)
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n/an/a 460n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Sus scrofa (Pig))		BDBM50056049
PNG
(2-Isobutyl-isothiazolo[5,4-b]pyridin-3-one | CHEMB...)
Show SMILES CC(C)Cn1sc2ncccc2c1=O
Show InChI InChI=1S/C10H12N2OS/c1-7(2)6-12-10(13)8-4-3-5-11-9(8)14-12/h3-5,7H,6H2,1-2H3
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n/an/a 530n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcine gastric H+/K+ ATPase

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223579
PNG
(CHEMBL442194)
Show SMILES Cc1cc(=O)oc2cc(CCc3n[nH]c4cccc(OCc5ccc(cc5)C(C)(C)C)c34)ccc12
Show InChI InChI=1S/C30H30N2O3/c1-19-16-28(33)35-27-17-20(10-14-23(19)27)11-15-25-29-24(31-32-25)6-5-7-26(29)34-18-21-8-12-22(13-9-21)30(2,3)4/h5-10,12-14,16-17H,11,15,18H2,1-4H3,(H,31,32)
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n/an/a 535n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))		BDBM50056056
PNG
(2-(2,4-Dimethoxy-phenylmethanesulfinyl)-N-pyridin-...)
Show SMILES COc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1
Show InChI InChI=1S/C20H19N3O4S/c1-26-16-6-5-14(18(12-16)27-2)13-28(25)20-17(4-3-9-22-20)19(24)23-15-7-10-21-11-8-15/h3-12H,13H2,1-2H3,(H,21,23,24)
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n/an/a 590n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50366822
PNG
(AT-4140 | CI-978 | SPARFLOXACIN | Spara)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1 |r|
Show InChI InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+
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n/an/a 637n/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase

J Med Chem 47: 3693-6 (2004)


Article DOI: 10.1021/jm030394f
BindingDB Entry DOI: 10.7270/Q2CN76N7
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223575
PNG
(CHEMBL318448)
Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C/c2cn(C)c3ccc(Cl)cc23)[nH]n1
Show InChI InChI=1S/C23H27ClN4O2/c1-28-14-16(21-11-17(24)7-9-22(21)28)6-8-19-12-20(27-26-19)13-25-18-5-3-4-15(10-18)23(29)30-2/h6-9,11-12,14-15,18,25H,3-5,10,13H2,1-2H3,(H,26,27)/b8-6-
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n/an/a 1.17E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))		BDBM50056042
PNG
(CHEMBL108285 | N-Pyridin-4-yl-2-(2,4,6-trimethoxy-...)
Show SMILES COc1cc(OC)c(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1
Show InChI InChI=1S/C21H21N3O5S/c1-27-15-11-18(28-2)17(19(12-15)29-3)13-30(26)21-16(5-4-8-23-21)20(25)24-14-6-9-22-10-7-14/h4-12H,13H2,1-3H3,(H,22,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))		BDBM50056050
PNG
(2-(Di-p-tolyl-methanesulfinyl)-N-pyridin-4-yl-nico...)
Show SMILES Cc1ccc(cc1)C(c1ccc(C)cc1)S(=O)c1ncccc1C(=O)Nc1ccncc1
Show InChI InChI=1S/C26H23N3O2S/c1-18-5-9-20(10-6-18)24(21-11-7-19(2)8-12-21)32(31)26-23(4-3-15-28-26)25(30)29-22-13-16-27-17-14-22/h3-17,24H,1-2H3,(H,27,29,30)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))		BDBM50056051
PNG
(2-[2-(2-Fluoro-ethoxy)-4-methoxy-phenylmethanesulf...)
Show SMILES COc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OCCF)c1
Show InChI InChI=1S/C21H20FN3O4S/c1-28-17-5-4-15(19(13-17)29-12-8-22)14-30(27)21-18(3-2-9-24-21)20(26)25-16-6-10-23-11-7-16/h2-7,9-11,13H,8,12,14H2,1H3,(H,23,25,26)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))		BDBM50056047
PNG
(2-(5-Bromo-2,4-dimethoxy-phenylmethanesulfinyl)-N-...)
Show SMILES COc1cc(OC)c(CS(=O)c2ncccc2C(=O)Nc2ccncc2)cc1Br
Show InChI InChI=1S/C20H18BrN3O4S/c1-27-17-11-18(28-2)16(21)10-13(17)12-29(26)20-15(4-3-7-23-20)19(25)24-14-5-8-22-9-6-14/h3-11H,12H2,1-2H3,(H,22,24,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223589
PNG
(CHEMBL97620)
Show SMILES COC(=O)C1CCCC(C1)NCc1n[nH]c2cccc(OCc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C23H25Cl2N3O3/c1-30-23(29)15-4-2-5-16(11-15)26-12-20-22-19(27-28-20)6-3-7-21(22)31-13-14-8-9-17(24)18(25)10-14/h3,6-10,15-16,26H,2,4-5,11-13H2,1H3,(H,27,28)
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n/an/a 2.16E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223614
PNG
(CHEMBL97490)
Show SMILES COC(=O)C1CCCC(C1)Nc1[nH]nc2cccc(OCc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C22H23Cl2N3O3/c1-29-22(28)14-4-2-5-15(11-14)25-21-20-18(26-27-21)6-3-7-19(20)30-12-13-8-9-16(23)17(24)10-13/h3,6-10,14-15H,2,4-5,11-12H2,1H3,(H2,25,26,27)
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n/an/a 2.23E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223600
PNG
(CHEMBL316656)
Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C\c2cn(C)c3ccc(Cl)cc23)[nH]n1
Show InChI InChI=1S/C23H27ClN4O2/c1-28-14-16(21-11-17(24)7-9-22(21)28)6-8-19-12-20(27-26-19)13-25-18-5-3-4-15(10-18)23(29)30-2/h6-9,11-12,14-15,18,25H,3-5,10,13H2,1-2H3,(H,26,27)/b8-6+
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n/an/a 2.34E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223600
PNG
(CHEMBL316656)
Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C\c2cn(C)c3ccc(Cl)cc23)[nH]n1
Show InChI InChI=1S/C23H27ClN4O2/c1-28-14-16(21-11-17(24)7-9-22(21)28)6-8-19-12-20(27-26-19)13-25-18-5-3-4-15(10-18)23(29)30-2/h6-9,11-12,14-15,18,25H,3-5,10,13H2,1-2H3,(H,26,27)/b8-6+
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n/an/a 2.34E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223575
PNG
(CHEMBL318448)
Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C/c2cn(C)c3ccc(Cl)cc23)[nH]n1
Show InChI InChI=1S/C23H27ClN4O2/c1-28-14-16(21-11-17(24)7-9-22(21)28)6-8-19-12-20(27-26-19)13-25-18-5-3-4-15(10-18)23(29)30-2/h6-9,11-12,14-15,18,25H,3-5,10,13H2,1-2H3,(H,26,27)/b8-6-
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n/an/a 2.34E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Sus scrofa (Pig))		BDBM50056042
PNG
(CHEMBL108285 | N-Pyridin-4-yl-2-(2,4,6-trimethoxy-...)
Show SMILES COc1cc(OC)c(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1
Show InChI InChI=1S/C21H21N3O5S/c1-27-15-11-18(28-2)17(19(12-15)29-3)13-30(26)21-16(5-4-8-23-21)20(25)24-14-6-9-22-10-7-14/h4-12H,13H2,1-3H3,(H,22,24,25)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcine gastric H+/K+ ATPase

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223585
PNG
(CHEMBL95667)
Show SMILES COC(=O)C1CN(Cc2n[nH]c3cccc(OCc4ccc(cc4)C(C)(C)C)c23)CCC1=O
Show InChI InChI=1S/C26H31N3O4/c1-26(2,3)18-10-8-17(9-11-18)16-33-23-7-5-6-20-24(23)21(28-27-20)15-29-13-12-22(30)19(14-29)25(31)32-4/h5-11,19H,12-16H2,1-4H3,(H,27,28)
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n/an/a 8.89E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223603
PNG
(CHEMBL95741)
Show SMILES COC(=O)C1CCCC(C1)NCc1n[nH]c2cccc(OCc3ccc(cc3)C(C)(C)C)c12
Show InChI InChI=1S/C27H35N3O3/c1-27(2,3)20-13-11-18(12-14-20)17-33-24-10-6-9-22-25(24)23(30-29-22)16-28-21-8-5-7-19(15-21)26(31)32-4/h6,9-14,19,21,28H,5,7-8,15-17H2,1-4H3,(H,29,30)
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n/an/a 8.89E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223613
PNG
(CHEMBL96995)
Show SMILES COC(=O)C1CCCC(C1)Nc1[nH]nc2cccc(OCc3ccc(cc3)C(C)(C)C)c12
Show InChI InChI=1S/C26H33N3O3/c1-26(2,3)19-13-11-17(12-14-19)16-32-22-10-6-9-21-23(22)24(29-28-21)27-20-8-5-7-18(15-20)25(30)31-4/h6,9-14,18,20H,5,7-8,15-16H2,1-4H3,(H2,27,28,29)
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n/an/a 9.18E+3n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))		BDBM50056044
PNG
(2-(2,4-Dimethoxy-3-methyl-phenylmethanesulfinyl)-N...)
Show SMILES COc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1C
Show InChI InChI=1S/C21H21N3O4S/c1-14-18(27-2)7-6-15(19(14)28-3)13-29(26)21-17(5-4-10-23-21)20(25)24-16-8-11-22-12-9-16/h4-12H,13H2,1-3H3,(H,22,24,25)
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n/an/a 1.66E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223622
PNG
(CHEMBL99301)
Show SMILES CCOC(=O)C1CCCN(Cc2n[nH]c3cccc(OCc4ccc(cc4)C(C)(C)C)c23)C1
Show InChI InChI=1S/C27H35N3O3/c1-5-32-26(31)20-8-7-15-30(16-20)17-23-25-22(28-29-23)9-6-10-24(25)33-18-19-11-13-21(14-12-19)27(2,3)4/h6,9-14,20H,5,7-8,15-18H2,1-4H3,(H,28,29)
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n/an/a 1.77E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223597
PNG
(CHEMBL95777)
Show SMILES Clc1cccc(c1)-n1nc(cc1\C=C\c1c[nH]c2ccc(Cl)cc12)C1CCNCC1
Show InChI InChI=1S/C24H22Cl2N4/c25-18-2-1-3-20(12-18)30-21(14-24(29-30)16-8-10-27-11-9-16)6-4-17-15-28-23-7-5-19(26)13-22(17)23/h1-7,12-16,27-28H,8-11H2/b6-4+
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n/an/a 1.82E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against supercoiling activity of DNA gyrase isolated from Escherichia coli

Bioorg Med Chem Lett 15: 4299-303 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.103
BindingDB Entry DOI: 10.7270/Q2RJ4N7G
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223621
PNG
(CHEMBL421006)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1)NCc1n[nH]c2cccc(OCc3ccc(cc3)C(C)(C)C)c12
Show InChI InChI=1S/C25H32N4O3/c1-25(2,3)17-10-8-16(9-11-17)15-32-22-7-5-6-19-23(22)21(29-28-19)14-26-18-12-20(27-13-18)24(30)31-4/h5-11,18,20,26-27H,12-15H2,1-4H3,(H,28,29)/t18-,20-/m0/s1
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n/an/a 1.83E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223598
PNG
(CHEMBL316690)
Show SMILES COC(=O)[C@@H]1C[C@H](CN1)NCc1n[nH]c2cccc(OCc3ccc(cc3)C(C)(C)C)c12
Show InChI InChI=1S/C25H32N4O3/c1-25(2,3)17-10-8-16(9-11-17)15-32-22-7-5-6-19-23(22)21(29-28-19)14-26-18-12-20(27-13-18)24(30)31-4/h5-11,18,20,26-27H,12-15H2,1-4H3,(H,28,29)/t18-,20+/m1/s1
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n/an/a 1.83E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223612
PNG
(CHEMBL329485)
Show SMILES COC(=O)C1CCCC(C1)Nc1[nH]nc2cccc(OCc3ccccc3)c12
Show InChI InChI=1S/C22H25N3O3/c1-27-22(26)16-9-5-10-17(13-16)23-21-20-18(24-25-21)11-6-12-19(20)28-14-15-7-3-2-4-8-15/h2-4,6-8,11-12,16-17H,5,9-10,13-14H2,1H3,(H2,23,24,25)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))		BDBM50056052
PNG
(2-(2,6-Dimethoxy-phenylmethanesulfinyl)-N-pyridin-...)
Show SMILES COc1cccc(OC)c1CS(=O)c1ncccc1C(=O)Nc1ccncc1
Show InChI InChI=1S/C20H19N3O4S/c1-26-17-6-3-7-18(27-2)16(17)13-28(25)20-15(5-4-10-22-20)19(24)23-14-8-11-21-12-9-14/h3-12H,13H2,1-2H3,(H,21,23,24)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223617
PNG
(CHEMBL95778)
Show SMILES Cn1cc(\C=C\c2cc(nn2-c2cccc(Cl)c2)C2CCNCC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C25H24Cl2N4/c1-30-16-18(23-14-20(27)6-8-25(23)30)5-7-22-15-24(17-9-11-28-12-10-17)29-31(22)21-4-2-3-19(26)13-21/h2-8,13-17,28H,9-12H2,1H3/b7-5+
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n/an/a 3.10E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against supercoiling activity of DNA gyrase isolated from Escherichia coli

Bioorg Med Chem Lett 15: 4299-303 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.103
BindingDB Entry DOI: 10.7270/Q2RJ4N7G
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223617
PNG
(CHEMBL95778)
Show SMILES Cn1cc(\C=C\c2cc(nn2-c2cccc(Cl)c2)C2CCNCC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C25H24Cl2N4/c1-30-16-18(23-14-20(27)6-8-25(23)30)5-7-22-15-24(17-9-11-28-12-10-17)29-31(22)21-4-2-3-19(26)13-21/h2-8,13-17,28H,9-12H2,1H3/b7-5+
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n/an/a 3.10E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223597
PNG
(CHEMBL95777)
Show SMILES Clc1cccc(c1)-n1nc(cc1\C=C\c1c[nH]c2ccc(Cl)cc12)C1CCNCC1
Show InChI InChI=1S/C24H22Cl2N4/c25-18-2-1-3-20(12-18)30-21(14-24(29-30)16-8-10-27-11-9-16)6-4-17-15-28-23-7-5-19(26)13-22(17)23/h1-7,12-16,27-28H,8-11H2/b6-4+
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n/an/a 3.20E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Iinhibitory activity against Escherichia coli DNA gyrase

J Med Chem 47: 3693-6 (2004)


Article DOI: 10.1021/jm030394f
BindingDB Entry DOI: 10.7270/Q2CN76N7
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Escherichia coli (strain K12))		BDBM50223597
PNG
(CHEMBL95777)
Show SMILES Clc1cccc(c1)-n1nc(cc1\C=C\c1c[nH]c2ccc(Cl)cc12)C1CCNCC1
Show InChI InChI=1S/C24H22Cl2N4/c25-18-2-1-3-20(12-18)30-21(14-24(29-30)16-8-10-27-11-9-16)6-4-17-15-28-23-7-5-19(26)13-22(17)23/h1-7,12-16,27-28H,8-11H2/b6-4+
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n/an/a 3.20E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against decatenation of DNA topoisomerase IV isolated from Escherichia coli

Bioorg Med Chem Lett 15: 4299-303 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.103
BindingDB Entry DOI: 10.7270/Q2RJ4N7G
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223597
PNG
(CHEMBL95777)
Show SMILES Clc1cccc(c1)-n1nc(cc1\C=C\c1c[nH]c2ccc(Cl)cc12)C1CCNCC1
Show InChI InChI=1S/C24H22Cl2N4/c25-18-2-1-3-20(12-18)30-21(14-24(29-30)16-8-10-27-11-9-16)6-4-17-15-28-23-7-5-19(26)13-22(17)23/h1-7,12-16,27-28H,8-11H2/b6-4+
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n/an/a 3.20E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50475386
PNG
(CHEMBL194702)
Show SMILES Clc1ccc(COc2ccc(\C=C\c3cc([nH]n3)C3CCNCC3)cc2)cc1Cl
Show InChI InChI=1S/C23H23Cl2N3O/c24-21-8-4-17(13-22(21)25)15-29-20-6-2-16(3-7-20)1-5-19-14-23(28-27-19)18-9-11-26-12-10-18/h1-8,13-14,18,26H,9-12,15H2,(H,27,28)/b5-1+
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n/an/a 3.26E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against supercoiling activity of DNA gyrase isolated from Escherichia coli

Bioorg Med Chem Lett 15: 4299-303 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.103
BindingDB Entry DOI: 10.7270/Q2RJ4N7G
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Escherichia coli (strain K12))		BDBM50223617
PNG
(CHEMBL95778)
Show SMILES Cn1cc(\C=C\c2cc(nn2-c2cccc(Cl)c2)C2CCNCC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C25H24Cl2N4/c1-30-16-18(23-14-20(27)6-8-25(23)30)5-7-22-15-24(17-9-11-28-12-10-17)29-31(22)21-4-2-3-19(26)13-21/h2-8,13-17,28H,9-12H2,1H3/b7-5+
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n/an/a 3.54E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against decatenation of DNA topoisomerase IV isolated from Escherichia coli

Bioorg Med Chem Lett 15: 4299-303 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.103
BindingDB Entry DOI: 10.7270/Q2RJ4N7G
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223584
PNG
(CHEMBL316496)
Show SMILES COC(=O)C1CCN(Cc2n[nH]c3cccc(OCc4ccc(cc4)C(C)(C)C)c23)CC1
Show InChI InChI=1S/C26H33N3O3/c1-26(2,3)20-10-8-18(9-11-20)17-32-23-7-5-6-21-24(23)22(28-27-21)16-29-14-12-19(13-15-29)25(30)31-4/h5-11,19H,12-17H2,1-4H3,(H,27,28)
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n/an/a 3.67E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223596
PNG
(CHEMBL97902)
Show SMILES COC(=O)C1CCCN(Cc2n[nH]c3cccc(OCc4ccc(cc4)C(C)(C)C)c23)C1
Show InChI InChI=1S/C26H33N3O3/c1-26(2,3)20-12-10-18(11-13-20)17-32-23-9-5-8-21-24(23)22(28-27-21)16-29-14-6-7-19(15-29)25(30)31-4/h5,8-13,19H,6-7,14-17H2,1-4H3,(H,27,28)
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n/an/a 3.67E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223604
PNG
(CHEMBL95662)
Show SMILES COC(=O)C1CCCC(C1)Nc1[nH]nc2cccc(OCc3ccc(F)c(F)c3)c12
Show InChI InChI=1S/C22H23F2N3O3/c1-29-22(28)14-4-2-5-15(11-14)25-21-20-18(26-27-21)6-3-7-19(20)30-12-13-8-9-16(23)17(24)10-13/h3,6-10,14-15H,2,4-5,11-12H2,1H3,(H2,25,26,27)
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n/an/a 3.85E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223618
PNG
(CHEMBL97957)
Show SMILES COC(=O)C1CCCC(C1)Nc1[nH]nc2cccc(OCc3ccc(Cl)cc3)c12
Show InChI InChI=1S/C22H24ClN3O3/c1-28-22(27)15-4-2-5-17(12-15)24-21-20-18(25-26-21)6-3-7-19(20)29-13-14-8-10-16(23)11-9-14/h3,6-11,15,17H,2,4-5,12-13H2,1H3,(H2,24,25,26)
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n/an/a 3.86E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223616
PNG
(CHEMBL100214)
Show SMILES CCOC(=O)CCCNc1[nH]nc2cccc(OCc3ccc(cc3)C(C)(C)C)c12
Show InChI InChI=1S/C24H31N3O3/c1-5-29-21(28)10-7-15-25-23-22-19(26-27-23)8-6-9-20(22)30-16-17-11-13-18(14-12-17)24(2,3)4/h6,8-9,11-14H,5,7,10,15-16H2,1-4H3,(H2,25,26,27)
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n/an/a 3.90E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223619
PNG
(CHEMBL97537)
Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C/c2ccc(Cl)c(Cl)c2)[nH]n1
Show InChI InChI=1S/C20H23Cl2N3O2/c1-27-20(26)14-3-2-4-15(10-14)23-12-17-11-16(24-25-17)7-5-13-6-8-18(21)19(22)9-13/h5-9,11,14-15,23H,2-4,10,12H2,1H3,(H,24,25)/b7-5-
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n/an/a 3.91E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223623
PNG
(CHEMBL97171)
Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C\c2ccc(Cl)c(Cl)c2)[nH]n1
Show InChI InChI=1S/C20H23Cl2N3O2/c1-27-20(26)14-3-2-4-15(10-14)23-12-17-11-16(24-25-17)7-5-13-6-8-18(21)19(22)9-13/h5-9,11,14-15,23H,2-4,10,12H2,1H3,(H,24,25)/b7-5+
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n/an/a 3.91E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))		BDBM50056054
PNG
(2-[2-(2-Hydroxy-ethoxy)-4-methoxy-phenylmethanesul...)
Show SMILES COc1ccc(CS(=O)c2ncccc2C(=O)Nc2ccncc2)c(OCCO)c1
Show InChI InChI=1S/C21H21N3O5S/c1-28-17-5-4-15(19(13-17)29-12-11-25)14-30(27)21-18(3-2-8-23-21)20(26)24-16-6-9-22-10-7-16/h2-10,13,25H,11-12,14H2,1H3,(H,22,24,26)
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n/an/a 5.90E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [14C]-aminopyrine (AP) accumulation stimulated by dibutyryl cyclic AMP in isolated rabbit parietal cells

J Med Chem 40: 313-21 (1997)


Article DOI: 10.1021/jm9605593
BindingDB Entry DOI: 10.7270/Q2445KKS
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit A


(Escherichia coli (strain K12))		BDBM50475386
PNG
(CHEMBL194702)
Show SMILES Clc1ccc(COc2ccc(\C=C\c3cc([nH]n3)C3CCNCC3)cc2)cc1Cl
Show InChI InChI=1S/C23H23Cl2N3O/c24-21-8-4-17(13-22(21)25)15-29-20-6-2-16(3-7-20)1-5-19-14-23(28-27-19)18-9-11-26-12-10-18/h1-8,13-14,18,26H,9-12,15H2,(H,27,28)/b5-1+
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n/an/a 6.53E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against decatenation of DNA topoisomerase IV isolated from Escherichia coli

Bioorg Med Chem Lett 15: 4299-303 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.103
BindingDB Entry DOI: 10.7270/Q2RJ4N7G
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50223611
PNG
(CHEMBL327525)
Show SMILES CC(C)(C)c1ccc(COc2cccc3[nH]nc(CN[C@H]4CN[C@H](CO)C4)c23)cc1
Show InChI InChI=1S/C24H32N4O2/c1-24(2,3)17-9-7-16(8-10-17)15-30-22-6-4-5-20-23(22)21(28-27-20)13-26-18-11-19(14-29)25-12-18/h4-10,18-19,25-26,29H,11-15H2,1-3H3,(H,27,28)/t18-,19+/m1/s1
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n/an/a 7.83E+4n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli DNA gyrase

Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
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