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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 286.3
BDBM50010132
Purchase
Wt: 406.3
BDBM50404284
Wt: 420.3
BDBM50404286
Wt: 426.7
BDBM50404289
Wt: 433.7
BDBM50404290
Wt: 385.9
BDBM50404291
Wt: 433.7
BDBM50404292
Wt: 392.3
BDBM50404295
Wt: 433.7
BDBM50404296
Wt: 461.1
BDBM50404297
Wt: 445.1
BDBM50404298
Wt: 460.2
BDBM50404299
Wt: 451.7
BDBM50404300
Wt: 468.1
BDBM50404301
Wt: 464.5
BDBM50404319
Displayed 1 to 15 (of 42 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 30 hits in this display   
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)
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)
BDBM50404319
PNG
(CHEMBL266556)
Show SMILES FC(F)(F)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1
Show InChI InChI=1S/C22H23F3N4O2S/c23-22(24,25)32(30,31)28-13-18-8-4-5-9-21(18)29(14-19-12-26-16-27-19)20(15-28)11-10-17-6-2-1-3-7-17/h1-9,12,16,20H,10-11,13-15H2,(H,26,27)
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n/an/a 77n/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: 1031-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.052
BindingDB Entry DOI: 10.7270/Q2D50MCF
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)
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)
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)
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)
BDBM50404319
PNG
(CHEMBL266556)
Show SMILES FC(F)(F)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1
Show InChI InChI=1S/C22H23F3N4O2S/c23-22(24,25)32(30,31)28-13-18-8-4-5-9-21(18)29(14-19-12-26-16-27-19)20(15-28)11-10-17-6-2-1-3-7-17/h1-9,12,16,20H,10-11,13-15H2,(H,26,27)
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n/an/a>3.00E+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: 1031-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.052
BindingDB Entry DOI: 10.7270/Q2D50MCF
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)
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)
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>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)
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>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)
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)
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>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)
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>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)
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>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)
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>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)
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>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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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)
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>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)
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>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)
BDBM50010132
PNG
((3S,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin...)
Show SMILES CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N1CCCC1=O)C#N
Show InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration towards rat mitochondrial F1F0 ATP hydrolase using a pyruvate kinase / lactate dehydrogenase system


J Med Chem 47: 1081-4 (2004)


Article DOI: 10.1021/jm030291x
BindingDB Entry DOI: 10.7270/Q23779XF
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>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
Sulfonylurea receptor 2, Kir6.2


(Homo sapiens)
BDBM50010132
PNG
((3S,4R)-3-Hydroxy-2,2-dimethyl-4-(2-oxo-pyrrolidin...)
Show SMILES CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N1CCCC1=O)C#N
Show InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m1/s1
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n/an/an/an/a 1.25E+3n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Channel opening activity at SUR2B/Kir6.2 potassium ATP channel in human TE671 cells assessed as isometric force by FLIPR


Bioorg Med Chem 17: 855-66 (2009)


Article DOI: 10.1016/j.bmc.2008.11.055
BindingDB Entry DOI: 10.7270/Q2N017FM
More data for this
Ligand-Target Pair