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PubMed code 15013016

Compile data set for download or QSAR
Found 38 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
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404288
PNG
(CHEMBL269369)
Show SMILES OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1cccc(c1)C#N
Show InChI InChI=1S/C26H20Cl3N5O/c27-19-4-7-21(8-5-19)32-26(25(35)18-3-1-2-17(12-18)14-30)33-24(15-34-11-10-31-16-34)22-9-6-20(28)13-23(22)29/h1-13,16,24-25,35H,15H2,(H,32,33)
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n/an/a 18n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404297
PNG
(CHEMBL269080)
Show SMILES Clc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H13Cl4N3OS/c19-11-1-3-13(14(21)7-11)17(9-25-6-5-23-10-25)26-18(27)24-16-4-2-12(20)8-15(16)22/h1-8,10,17H,9H2,(H,24,27)
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n/an/a 30n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404288
PNG
(CHEMBL269369)
Show SMILES OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1cccc(c1)C#N
Show InChI InChI=1S/C26H20Cl3N5O/c27-19-4-7-21(8-5-19)32-26(25(35)18-3-1-2-17(12-18)14-30)33-24(15-34-11-10-31-16-34)22-9-6-20(28)13-23(22)29/h1-13,16,24-25,35H,15H2,(H,32,33)
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n/an/a 33n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404293
PNG
(CHEMBL8024)
Show SMILES OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20Cl4N4O/c26-17-3-1-16(2-4-17)24(34)25(31-20-8-5-18(27)6-9-20)32-23(14-33-12-11-30-15-33)21-10-7-19(28)13-22(21)29/h1-13,15,23-24,34H,14H2,(H,31,32)
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n/an/a 82n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404286
PNG
(CHEMBL7982)
Show SMILES Cc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(C)c1
Show InChI InChI=1S/C20H19Cl2N3OS/c1-13-3-6-18(14(2)9-13)24-20(27)26-19(11-25-8-7-23-12-25)16-5-4-15(21)10-17(16)22/h3-10,12,19H,11H2,1-2H3,(H,24,27)
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n/an/a 230n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404287
PNG
(CHEMBL8116)
Show SMILES OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20Cl3N5O/c27-19-5-8-21(9-6-19)32-26(25(35)18-3-1-17(14-30)2-4-18)33-24(15-34-12-11-31-16-34)22-10-7-20(28)13-23(22)29/h1-13,16,24-25,35H,15H2,(H,32,33)
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n/an/a 280n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404289
PNG
(CHEMBL8376)
Show SMILES Clc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H14Cl3N3OS/c19-12-1-4-14(5-2-12)23-18(26)25-17(10-24-8-7-22-11-24)15-6-3-13(20)9-16(15)21/h1-9,11,17H,10H2,(H,23,26)
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n/an/a 430n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404301
PNG
(CHEMBL7871)
Show SMILES Clc1ccc(NC(NC(Cn2ccnc2)c2ccc(Cl)cc2Cl)=NC#N)c(Cl)c1
Show InChI InChI=1S/C19H14Cl4N6/c20-12-1-3-14(15(22)7-12)18(9-29-6-5-25-11-29)28-19(26-10-24)27-17-4-2-13(21)8-16(17)23/h1-8,11,18H,9H2,(H2,26,27,28)
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n/an/a 600n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404284
PNG
(CHEMBL8064)
Show SMILES Cc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H17Cl2N3OS/c1-13-2-5-15(6-3-13)23-19(26)25-18(11-24-9-8-22-12-24)16-7-4-14(20)10-17(16)21/h2-10,12,18H,11H2,1H3,(H,23,26)
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n/an/a 660n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404285
PNG
(CHEMBL8025)
Show SMILES FC(F)(F)c1ccc(c(c1)C(Cn1ccnc1)NC(Nc1ccc(Cl)cc1Cl)=NC#N)C(F)(F)F
Show InChI InChI=1S/C21H14Cl2F6N6/c22-13-2-4-17(16(23)8-13)33-19(32-10-30)34-18(9-35-6-5-31-11-35)14-7-12(20(24,25)26)1-3-15(14)21(27,28)29/h1-8,11,18H,9H2,(H2,32,33,34)
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n/an/a 710n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404290
PNG
(CHEMBL8473)
Show SMILES Clc1ccc(C(Cn2ccnc2)NC(Nc2ccccc2Cl)=NC#N)c(Cl)c1
Show InChI InChI=1S/C19H15Cl3N6/c20-13-5-6-14(16(22)9-13)18(10-28-8-7-24-12-28)27-19(25-11-23)26-17-4-2-1-3-15(17)21/h1-9,12,18H,10H2,(H2,25,26,27)
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n/an/a 2.23E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404300
PNG
(CHEMBL7894)
Show SMILES CCC(=O)C(NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H21Cl3N4O/c1-2-20(29)21(26-16-6-3-14(22)4-7-16)27-19(12-28-10-9-25-13-28)17-8-5-15(23)11-18(17)24/h3-11,13,19,21,26-27H,2,12H2,1H3
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n/an/a 2.27E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404299
PNG
(CHEMBL8199)
Show SMILES Clc1ccc(NC(=S)NC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N4S/c19-11-1-3-13(14(21)7-11)17(9-26-6-5-23-10-26)25-18(27)24-16-4-2-12(20)8-15(16)22/h1-8,10,17H,9H2,(H2,24,25,27)
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n/an/a 2.41E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404294
PNG
(CHEMBL269307)
Show SMILES Clc1ccc(C(Cn2ccnc2)NC(Nc2cccc(Cl)c2Cl)=NC#N)c(Cl)c1
Show InChI InChI=1S/C19H14Cl4N6/c20-12-4-5-13(15(22)8-12)17(9-29-7-6-25-11-29)28-19(26-10-24)27-16-3-1-2-14(21)18(16)23/h1-8,11,17H,9H2,(H2,26,27,28)
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n/an/a 2.49E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404295
PNG
(CHEMBL8244)
Show SMILES Clc1ccc(C(Cn2ccnc2)OC(=S)Nc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C18H15Cl2N3OS/c19-13-6-7-15(16(20)10-13)17(11-23-9-8-21-12-23)24-18(25)22-14-4-2-1-3-5-14/h1-10,12,17H,11H2,(H,22,25)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404298
PNG
(CHEMBL416142)
Show SMILES Clc1ccc(NC(=O)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H13Cl4N3O2/c19-11-1-3-13(14(21)7-11)17(9-25-6-5-23-10-25)27-18(26)24-16-4-2-12(20)8-15(16)22/h1-8,10,17H,9H2,(H,24,26)
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n/an/a 6.77E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404292
PNG
(CHEMBL8124)
Show SMILES Clc1ccc(NC(NC(Cn2ccnc2)c2ccc(Cl)cc2Cl)=NC#N)cc1
Show InChI InChI=1S/C19H15Cl3N6/c20-13-1-4-15(5-2-13)26-19(25-11-23)27-18(10-28-8-7-24-12-28)16-6-3-14(21)9-17(16)22/h1-9,12,18H,10H2,(H2,25,26,27)
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n/an/a 8.80E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404296
PNG
(CHEMBL8029)
Show SMILES Clc1cccc(NC(NC(Cn2ccnc2)c2ccc(Cl)cc2Cl)=NC#N)c1
Show InChI InChI=1S/C19H15Cl3N6/c20-13-2-1-3-15(8-13)26-19(25-11-23)27-18(10-28-7-6-24-12-28)16-5-4-14(21)9-17(16)22/h1-9,12,18H,10H2,(H2,25,26,27)
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n/an/a 9.17E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404291
PNG
(CHEMBL268210)
Show SMILES Cc1ccc(C(Cn2ccnc2)OC(=S)Nc2ccc(Cl)cc2)c(C)c1
Show InChI InChI=1S/C20H20ClN3OS/c1-14-3-8-18(15(2)11-14)19(12-24-10-9-22-13-24)25-20(26)23-17-6-4-16(21)5-7-17/h3-11,13,19H,12H2,1-2H3,(H,23,26)
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n/an/a 3.14E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404296
PNG
(CHEMBL8029)
Show SMILES Clc1cccc(NC(NC(Cn2ccnc2)c2ccc(Cl)cc2Cl)=NC#N)c1
Show InChI InChI=1S/C19H15Cl3N6/c20-13-2-1-3-15(8-13)26-19(25-11-23)27-18(10-28-7-6-24-12-28)16-5-4-14(21)9-17(16)22/h1-9,12,18H,10H2,(H2,25,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404288
PNG
(CHEMBL269369)
Show SMILES OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1cccc(c1)C#N
Show InChI InChI=1S/C26H20Cl3N5O/c27-19-4-7-21(8-5-19)32-26(25(35)18-3-1-2-17(12-18)14-30)33-24(15-34-11-10-31-16-34)22-9-6-20(28)13-23(22)29/h1-13,16,24-25,35H,15H2,(H,32,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404298
PNG
(CHEMBL416142)
Show SMILES Clc1ccc(NC(=O)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H13Cl4N3O2/c19-11-1-3-13(14(21)7-11)17(9-25-6-5-23-10-25)27-18(26)24-16-4-2-12(20)8-15(16)22/h1-8,10,17H,9H2,(H,24,26)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404293
PNG
(CHEMBL8024)
Show SMILES OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20Cl4N4O/c26-17-3-1-16(2-4-17)24(34)25(31-20-8-5-18(27)6-9-20)32-23(14-33-12-11-30-15-33)21-10-7-19(28)13-22(21)29/h1-13,15,23-24,34H,14H2,(H,31,32)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404295
PNG
(CHEMBL8244)
Show SMILES Clc1ccc(C(Cn2ccnc2)OC(=S)Nc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C18H15Cl2N3OS/c19-13-6-7-15(16(20)10-13)17(11-23-9-8-21-12-23)24-18(25)22-14-4-2-1-3-5-14/h1-10,12,17H,11H2,(H,22,25)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404292
PNG
(CHEMBL8124)
Show SMILES Clc1ccc(NC(NC(Cn2ccnc2)c2ccc(Cl)cc2Cl)=NC#N)cc1
Show InChI InChI=1S/C19H15Cl3N6/c20-13-1-4-15(5-2-13)26-19(25-11-23)27-18(10-28-8-7-24-12-28)16-6-3-14(21)9-17(16)22/h1-9,12,18H,10H2,(H2,25,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404284
PNG
(CHEMBL8064)
Show SMILES Cc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C19H17Cl2N3OS/c1-13-2-5-15(6-3-13)23-19(26)25-18(11-24-9-8-22-12-24)16-7-4-14(20)10-17(16)21/h2-10,12,18H,11H2,1H3,(H,23,26)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404286
PNG
(CHEMBL7982)
Show SMILES Cc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(C)c1
Show InChI InChI=1S/C20H19Cl2N3OS/c1-13-3-6-18(14(2)9-13)24-20(27)26-19(11-25-8-7-23-12-25)16-5-4-15(21)10-17(16)22/h3-10,12,19H,11H2,1-2H3,(H,24,27)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404294
PNG
(CHEMBL269307)
Show SMILES Clc1ccc(C(Cn2ccnc2)NC(Nc2cccc(Cl)c2Cl)=NC#N)c(Cl)c1
Show InChI InChI=1S/C19H14Cl4N6/c20-12-4-5-13(15(22)8-12)17(9-29-7-6-25-11-29)28-19(26-10-24)27-16-3-1-2-14(21)18(16)23/h1-8,11,17H,9H2,(H2,26,27,28)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404300
PNG
(CHEMBL7894)
Show SMILES CCC(=O)C(NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H21Cl3N4O/c1-2-20(29)21(26-16-6-3-14(22)4-7-16)27-19(12-28-10-9-25-13-28)17-8-5-15(23)11-18(17)24/h3-11,13,19,21,26-27H,2,12H2,1H3
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404285
PNG
(CHEMBL8025)
Show SMILES FC(F)(F)c1ccc(c(c1)C(Cn1ccnc1)NC(Nc1ccc(Cl)cc1Cl)=NC#N)C(F)(F)F
Show InChI InChI=1S/C21H14Cl2F6N6/c22-13-2-4-17(16(23)8-13)33-19(32-10-30)34-18(9-35-6-5-31-11-35)14-7-12(20(24,25)26)1-3-15(14)21(27,28)29/h1-8,11,18H,9H2,(H2,32,33,34)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404287
PNG
(CHEMBL8116)
Show SMILES OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20Cl3N5O/c27-19-5-8-21(9-6-19)32-26(25(35)18-3-1-17(14-30)2-4-18)33-24(15-34-12-11-31-16-34)22-10-7-20(28)13-23(22)29/h1-13,16,24-25,35H,15H2,(H,32,33)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404297
PNG
(CHEMBL269080)
Show SMILES Clc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H13Cl4N3OS/c19-11-1-3-13(14(21)7-11)17(9-25-6-5-23-10-25)26-18(27)24-16-4-2-12(20)8-15(16)22/h1-8,10,17H,9H2,(H,24,27)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404290
PNG
(CHEMBL8473)
Show SMILES Clc1ccc(C(Cn2ccnc2)NC(Nc2ccccc2Cl)=NC#N)c(Cl)c1
Show InChI InChI=1S/C19H15Cl3N6/c20-13-5-6-14(16(22)9-13)18(10-28-8-7-24-12-28)27-19(25-11-23)26-17-4-2-1-3-15(17)21/h1-9,12,18H,10H2,(H2,25,26,27)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404288
PNG
(CHEMBL269369)
Show SMILES OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1cccc(c1)C#N
Show InChI InChI=1S/C26H20Cl3N5O/c27-19-4-7-21(8-5-19)32-26(25(35)18-3-1-2-17(12-18)14-30)33-24(15-34-11-10-31-16-34)22-9-6-20(28)13-23(22)29/h1-13,16,24-25,35H,15H2,(H,32,33)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404291
PNG
(CHEMBL268210)
Show SMILES Cc1ccc(C(Cn2ccnc2)OC(=S)Nc2ccc(Cl)cc2)c(C)c1
Show InChI InChI=1S/C20H20ClN3OS/c1-14-3-8-18(15(2)11-14)19(12-24-10-9-22-13-24)25-20(26)23-17-6-4-16(21)5-7-17/h3-11,13,19H,12H2,1-2H3,(H,23,26)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404301
PNG
(CHEMBL7871)
Show SMILES Clc1ccc(NC(NC(Cn2ccnc2)c2ccc(Cl)cc2Cl)=NC#N)c(Cl)c1
Show InChI InChI=1S/C19H14Cl4N6/c20-12-1-3-14(15(22)7-12)18(9-29-6-5-25-11-29)28-19(26-10-24)27-17-4-2-13(21)8-16(17)23/h1-8,11,18H,9H2,(H2,26,27,28)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404289
PNG
(CHEMBL8376)
Show SMILES Clc1ccc(NC(=S)OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H14Cl3N3OS/c19-12-1-4-14(5-2-12)23-18(26)25-17(10-24-8-7-22-11-24)15-6-3-13(20)9-16(15)21/h1-9,11,17H,10H2,(H,23,26)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP synthase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
Mitochondrial complex V; ATP synthase


(Bos taurus)
BDBM50404299
PNG
(CHEMBL8199)
Show SMILES Clc1ccc(NC(=S)NC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N4S/c19-11-1-3-13(14(21)7-11)17(9-26-6-5-23-10-26)25-18(27)24-16-4-2-12(20)8-15(16)22/h1-8,10,17H,9H2,(H2,24,25,27)
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Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine mitochondrial F1F0 ATP hydrolase


Bioorg Med Chem Lett 14: 1027-30 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.077
BindingDB Entry DOI: 10.7270/Q2VX0HQ9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%