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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'ATP synthase subunit gamma, mitochondrial'   
Target
(Institution)
LigandTarget
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
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50409907
PNG
(CHEMBL11859)
Show SMILES CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N(Cc1ncc[nH]1)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C22H21ClN4O2/c1-22(2)21(28)20(17-11-14(12-24)3-8-18(17)29-22)27(13-19-25-9-10-26-19)16-6-4-15(23)5-7-16/h3-11,20-21,28H,13H2,1-2H3,(H,25,26)/t20-,21+/m1/s1
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n/an/a 240n/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


Citation and Details
More data for this
Ligand-Target Pair
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50409912
PNG
(CHEMBL11502)
Show SMILES CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N(Cc1ncc[nH]1)c1ccc(Cl)cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C26H31ClN4O4S/c1-26(2)25(32)24(31(17-23-28-12-13-29-23)19-8-6-18(27)7-9-19)21-16-20(10-11-22(21)35-26)36(33,34)30-14-4-3-5-15-30/h6-13,16,24-25,32H,3-5,14-15,17H2,1-2H3,(H,28,29)/t24-,25+/m0/s1
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n/an/a 480n/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


Citation and Details
More data for this
Ligand-Target Pair
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50409914
PNG
(BMS-191095)
Show SMILES CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N(Cc1ncc[nH]1)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C22H21ClN4O2/c1-22(2)21(28)20(17-11-14(12-24)3-8-18(17)29-22)27(13-19-25-9-10-26-19)16-6-4-15(23)5-7-16/h3-11,20-21,28H,13H2,1-2H3,(H,25,26)/t20-,21+/m0/s1
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n/an/a 480n/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


Citation and Details
More data for this
Ligand-Target Pair
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50409917
PNG
(CHEMBL273271)
Show SMILES CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N(Cc1ncc[nH]1)c1ccc(Cl)cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C26H31ClN4O4S/c1-26(2)25(32)24(31(17-23-28-12-13-29-23)19-8-6-18(27)7-9-19)21-16-20(10-11-22(21)35-26)36(33,34)30-14-4-3-5-15-30/h6-13,16,24-25,32H,3-5,14-15,17H2,1-2H3,(H,28,29)/t24-,25+/m1/s1
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n/an/a 1.40E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50409915
PNG
(CHEMBL428891)
Show SMILES CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N(Cc1ncc[nH]1)c1ccccc1)C#N
Show InChI InChI=1S/C22H22N4O2/c1-22(2)21(27)20(17-12-15(13-23)8-9-18(17)28-22)26(14-19-24-10-11-25-19)16-6-4-3-5-7-16/h3-12,20-21,27H,14H2,1-2H3,(H,24,25)/t20-,21+/m0/s1
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n/an/a 2.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50409909
PNG
(CHEMBL273900)
Show SMILES CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N(Cc1ncc[nH]1)c1ccccc1)C#N
Show InChI InChI=1S/C22H22N4O2/c1-22(2)21(27)20(17-12-15(13-23)8-9-18(17)28-22)26(14-19-24-10-11-25-19)16-6-4-3-5-7-16/h3-12,20-21,27H,14H2,1-2H3,(H,24,25)/t20-,21+/m1/s1
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n/an/a 4.20E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50409916
PNG
(CHEMBL11392)
Show SMILES CCOC(=O)N(C1C(O)C(C)(C)Oc2ccc(cc12)C#N)c1ccccc1
Show InChI InChI=1S/C21H22N2O4/c1-4-26-20(25)23(15-8-6-5-7-9-15)18-16-12-14(13-22)10-11-17(16)27-21(2,3)19(18)24/h5-12,18-19,24H,4H2,1-3H3
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n/an/a>3.00E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50409911
PNG
(CHEMBL274443)
Show SMILES CC1(C)Oc2ccc(cc2C(Nc2ccc(Cl)cc2)C1O)C#N
Show InChI InChI=1S/C18H17ClN2O2/c1-18(2)17(22)16(21-13-6-4-12(19)5-7-13)14-9-11(10-20)3-8-15(14)23-18/h3-9,16-17,21-22H,1-2H3
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n/an/a 4.50E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50409913
PNG
(CHEMBL429014)
Show SMILES Cc1nccn1N[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H28N4O4S/c1-14-21-9-12-24(14)22-18-16-13-15(29(26,27)23-10-5-4-6-11-23)7-8-17(16)28-20(2,3)19(18)25/h7-9,12-13,18-19,22,25H,4-6,10-11H2,1-3H3/t18-,19+/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


Citation and Details
More data for this
Ligand-Target Pair
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50409906
PNG
(CHEMBL268271)
Show SMILES CC1(C)Oc2ccc(cc2[C@@H]([C@H]1O)N(Cc1ncco1)c1ccccc1)C#N
Show InChI InChI=1S/C22H21N3O3/c1-22(2)21(26)20(17-12-15(13-23)8-9-18(17)28-22)25(14-19-24-10-11-27-19)16-6-4-3-5-7-16/h3-12,20-21,26H,14H2,1-2H3/t20-,21+/m0/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


Citation and Details
More data for this
Ligand-Target Pair
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50409910
PNG
(CHEMBL11183)
Show SMILES Cc1nccn1N[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(cc12)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H28N4O4S/c1-14-21-9-12-24(14)22-18-16-13-15(29(26,27)23-10-5-4-6-11-23)7-8-17(16)28-20(2,3)19(18)25/h7-9,12-13,18-19,22,25H,4-6,10-11H2,1-3H3/t18-,19+/m0/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


Citation and Details
More data for this
Ligand-Target Pair
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50012957
PNG
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)
Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
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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


Citation and Details
More data for this
Ligand-Target Pair
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50062397
PNG
(3N-cyanoimino(tert-pentylamino)methyl-3-pyridinami...)
Show SMILES CCC(C)(C)NC(NC#N)=Nc1cccnc1
Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)
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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


Citation and Details
More data for this
Ligand-Target Pair
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50409908
PNG
(CHEMBL11802)
Show SMILES CC1(C)Oc2ccc(cc2[C@H](N=C(NC#N)Nc2ccc(Cl)cc2)[C@H]1O)C#N
Show InChI InChI=1S/C20H18ClN5O2/c1-20(2)18(27)17(15-9-12(10-22)3-8-16(15)28-20)26-19(24-11-23)25-14-6-4-13(21)5-7-14/h3-9,17-18,27H,1-2H3,(H2,24,25,26)/t17-,18+/m0/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


Citation and Details
More data for this
Ligand-Target Pair
ATP synthase subunit gamma, mitochondrial


(Bos taurus)
BDBM50409907
PNG
(CHEMBL11859)
Show SMILES CC1(C)Oc2ccc(cc2[C@H]([C@@H]1O)N(Cc1ncc[nH]1)c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C22H21ClN4O2/c1-22(2)21(28)20(17-11-14(12-24)3-8-18(17)29-22)27(13-19-25-9-10-26-19)16-6-4-15(23)5-7-16/h3-11,20-21,28H,13H2,1-2H3,(H,25,26)/t20-,21+/m1/s1
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n/an/a 4.70E+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


Citation and Details
More data for this
Ligand-Target Pair