Found 49 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50142256
(4-(4-tert-Butyl-benzenesulfonyl)-1-(3H-imidazol-4-...)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C31H36N4O2S/c1-31(2,3)26-14-17-29(18-15-26)38(36,37)34-20-25-11-7-8-12-30(25)35(21-27-19-32-23-33-27)28(22-34)16-13-24-9-5-4-6-10-24/h4-12,14-15,17-19,23,28H,13,16,20-22H2,1-3H3,(H,32,33) | PDB
KEGG
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PC sid
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| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50142274
(4-(3,4-Dichloro-benzenesulfonyl)-1-(5-methyl-3H-im...)Show SMILES Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccccc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H28Cl2N4O2S/c1-20-27(32-19-31-20)18-34-23(12-11-21-7-3-2-4-8-21)17-33(16-22-9-5-6-10-28(22)34)37(35,36)24-13-14-25(29)26(30)15-24/h2-10,13-15,19,23H,11-12,16-18H2,1H3,(H,31,32) | PDB
KEGG
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PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50142256
(4-(4-tert-Butyl-benzenesulfonyl)-1-(3H-imidazol-4-...)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C31H36N4O2S/c1-31(2,3)26-14-17-29(18-15-26)38(36,37)34-20-25-11-7-8-12-30(25)35(21-27-19-32-23-33-27)28(22-34)16-13-24-9-5-4-6-10-24/h4-12,14-15,17-19,23,28H,13,16,20-22H2,1-3H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against ccytochrome P450 2C9 |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50142258
(4-(4-tert-Butyl-benzenesulfonyl)-1-(5-methyl-3H-im...)Show SMILES Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccccc12)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C32H38N4O2S/c1-24-30(34-23-33-24)22-36-28(17-14-25-10-6-5-7-11-25)21-35(20-26-12-8-9-13-31(26)36)39(37,38)29-18-15-27(16-19-29)32(2,3)4/h5-13,15-16,18-19,23,28H,14,17,20-22H2,1-4H3,(H,33,34) | PDB
KEGG
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404307
(CHEMBL8366)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C28H30N4O3S/c1-35-26-13-15-27(16-14-26)36(33,34)31-18-23-9-5-6-10-28(23)32(19-24-17-29-21-30-24)25(20-31)12-11-22-7-3-2-4-8-22/h2-10,13-17,21,25H,11-12,18-20H2,1H3,(H,29,30) | PDB
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404319
(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) | PDB
KEGG
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404318
(CHEMBL412904)Show SMILES Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccccc12)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29FN4O2S/c1-21-27(31-20-30-21)19-33-25(14-11-22-7-3-2-4-8-22)18-32(17-23-9-5-6-10-28(23)33)36(34,35)26-15-12-24(29)13-16-26/h2-10,12-13,15-16,20,25H,11,14,17-19H2,1H3,(H,30,31) | PDB
KEGG
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PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404314
(CHEMBL8003)Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C27H26Cl2N4O2S/c28-22-11-13-25(29)27(14-22)36(34,35)32-16-21-8-4-5-9-26(21)33(17-23-15-30-19-31-23)24(18-32)12-10-20-6-2-1-3-7-20/h1-9,11,13-15,19,24H,10,12,16-18H2,(H,30,31) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404320
(CHEMBL267942)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C27H27FN4O2S/c28-23-11-14-26(15-12-23)35(33,34)31-17-22-8-4-5-9-27(22)32(18-24-16-29-20-30-24)25(19-31)13-10-21-6-2-1-3-7-21/h1-9,11-12,14-16,20,25H,10,13,17-19H2,(H,29,30) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 221 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404316
(CHEMBL8247)Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H27N5O2S/c29-16-23-11-14-27(15-12-23)36(34,35)32-18-24-8-4-5-9-28(24)33(19-25-17-30-21-31-25)26(20-32)13-10-22-6-2-1-3-7-22/h1-9,11-12,14-15,17,21,26H,10,13,18-20H2,(H,30,31) | PDB
KEGG
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 255 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404313
(CHEMBL269778)Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1ccccc1 Show InChI InChI=1S/C27H28N4O2S/c32-34(33,26-12-5-2-6-13-26)30-18-23-11-7-8-14-27(23)31(19-24-17-28-21-29-24)25(20-30)16-15-22-9-3-1-4-10-22/h1-14,17,21,25H,15-16,18-20H2,(H,28,29) | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 282 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404321
(CHEMBL8407)Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1cccc2ccccc12 Show InChI InChI=1S/C31H30N4O2S/c36-38(37,31-16-8-13-25-11-4-6-14-29(25)31)34-20-26-12-5-7-15-30(26)35(21-27-19-32-23-33-27)28(22-34)18-17-24-9-2-1-3-10-24/h1-16,19,23,28H,17-18,20-22H2,(H,32,33) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 338 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404304
(CHEMBL266118)Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C27H27N5O4S/c33-32(34)24-10-6-11-26(15-24)37(35,36)30-17-22-9-4-5-12-27(22)31(18-23-16-28-20-29-23)25(19-30)14-13-21-7-2-1-3-8-21/h1-12,15-16,20,25H,13-14,17-19H2,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 423 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404315
(CHEMBL266958)Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1cccs1 Show InChI InChI=1S/C25H26N4O2S2/c30-33(31,25-11-6-14-32-25)28-16-21-9-4-5-10-24(21)29(17-22-15-26-19-27-22)23(18-28)13-12-20-7-2-1-3-8-20/h1-11,14-15,19,23H,12-13,16-18H2,(H,26,27) | PDB
KEGG
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GoogleScholar
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 636 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404317
(CHEMBL8306)Show SMILES Oc1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C27H28N4O3S/c32-25-12-14-26(15-13-25)35(33,34)30-17-22-8-4-5-9-27(22)31(18-23-16-28-20-29-23)24(19-30)11-10-21-6-2-1-3-7-21/h1-9,12-16,20,24,32H,10-11,17-19H2,(H,28,29) | PDB
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 667 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404312
(CHEMBL8406)Show SMILES Clc1cc(ccc1S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)C#N Show InChI InChI=1S/C28H26ClN5O2S/c29-26-14-22(15-30)11-13-28(26)37(35,36)33-17-23-8-4-5-9-27(23)34(18-24-16-31-20-32-24)25(19-33)12-10-21-6-2-1-3-7-21/h1-9,11,13-14,16,20,25H,10,12,17-19H2,(H,31,32) | PDB
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 939 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404309
(CHEMBL269156)Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1cccc2nonc12 Show InChI InChI=1S/C27H26N6O3S/c34-37(35,26-12-6-10-24-27(26)31-36-30-24)32-16-21-9-4-5-11-25(21)33(17-22-15-28-19-29-22)23(18-32)14-13-20-7-2-1-3-8-20/h1-12,15,19,23H,13-14,16-18H2,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50142274
(4-(3,4-Dichloro-benzenesulfonyl)-1-(5-methyl-3H-im...)Show SMILES Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccccc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H28Cl2N4O2S/c1-20-27(32-19-31-20)18-34-23(12-11-21-7-3-2-4-8-21)17-33(16-22-9-5-6-10-28(22)34)37(35,36)24-13-14-25(29)26(30)15-24/h2-10,13-15,19,23H,11-12,16-18H2,1H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against cytochrome P450 2C9 |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404306
(CHEMBL8456)Show SMILES CC(C)(C)c1ccc(CN2CC(CCc3ccccc3)N(Cc3cnc[nH]3)c3ccccc3C2)cc1 Show InChI InChI=1S/C32H38N4/c1-32(2,3)28-16-13-26(14-17-28)20-35-21-27-11-7-8-12-31(27)36(22-29-19-33-24-34-29)30(23-35)18-15-25-9-5-4-6-10-25/h4-14,16-17,19,24,30H,15,18,20-23H2,1-3H3,(H,33,34) | PDB
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PubMed
| n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404310
(CHEMBL8240)Show SMILES Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccc(cc2)C(C)(C)C)Cc2ccccc12 Show InChI InChI=1S/C33H40N4/c1-25-31(35-24-34-25)23-37-30(19-16-26-10-6-5-7-11-26)22-36(21-28-12-8-9-13-32(28)37)20-27-14-17-29(18-15-27)33(2,3)4/h5-15,17-18,24,30H,16,19-23H2,1-4H3,(H,34,35) | PDB
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PubMed
| n/a | n/a | 2.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404303
(CHEMBL269541)Show SMILES O=S(=O)(Cc1ccccc1)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C28H30N4O2S/c33-35(34,21-24-11-5-2-6-12-24)31-18-25-13-7-8-14-28(25)32(19-26-17-29-22-30-26)27(20-31)16-15-23-9-3-1-4-10-23/h1-14,17,22,27H,15-16,18-21H2,(H,29,30) | PDB
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| n/a | n/a | 2.41E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404311
(CHEMBL8213)Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1cccc2cccnc12 Show InChI InChI=1S/C30H29N5O2S/c36-38(37,29-14-6-11-24-12-7-17-32-30(24)29)34-19-25-10-4-5-13-28(25)35(20-26-18-31-22-33-26)27(21-34)16-15-23-8-2-1-3-9-23/h1-14,17-18,22,27H,15-16,19-21H2,(H,31,33) | PDB
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| n/a | n/a | 2.94E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404302
(CHEMBL269602)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C29H31N5O3S/c1-22(35)32-25-12-15-28(16-13-25)38(36,37)33-18-24-9-5-6-10-29(24)34(19-26-17-30-21-31-26)27(20-33)14-11-23-7-3-2-4-8-23/h2-10,12-13,15-17,21,27H,11,14,18-20H2,1H3,(H,30,31)(H,32,35) | PDB
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| n/a | n/a | 2.98E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50142258
(4-(4-tert-Butyl-benzenesulfonyl)-1-(5-methyl-3H-im...)Show SMILES Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccccc12)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C32H38N4O2S/c1-24-30(34-23-33-24)22-36-28(17-14-25-10-6-5-7-11-25)21-35(20-26-12-8-9-13-31(26)36)39(37,38)29-18-15-27(16-19-29)32(2,3)4/h5-13,15-16,18-19,23,28H,14,17,20-22H2,1-4H3,(H,33,34) | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against cytochrome P450 2C9 |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404308
(CHEMBL266555)Show SMILES Cc1ncc(CN2C(CCc3ccccc3)CN(Cc3ccccc23)S(=O)(=O)c2ccc(F)cc2)[nH]1 Show InChI InChI=1S/C28H29FN4O2S/c1-21-30-17-25(31-21)19-33-26(14-11-22-7-3-2-4-8-22)20-32(18-23-9-5-6-10-28(23)33)36(34,35)27-15-12-24(29)13-16-27/h2-10,12-13,15-17,26H,11,14,18-20H2,1H3,(H,30,31) | PDB
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Similars
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PubMed
| n/a | n/a | 9.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404305
(CHEMBL8499)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2ncc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C31H36N4O2S/c1-31(2,3)26-14-17-28(18-15-26)38(36,37)34-21-25-11-7-8-12-29(25)35(23-30-32-19-20-33-30)27(22-34)16-13-24-9-5-4-6-10-24/h4-12,14-15,17-20,27H,13,16,21-23H2,1-3H3,(H,32,33) | PDB
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404314
(CHEMBL8003)Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C27H26Cl2N4O2S/c28-22-11-13-25(29)27(14-22)36(34,35)32-16-21-8-4-5-9-26(21)33(17-23-15-30-19-31-23)24(18-32)12-10-20-6-2-1-3-7-20/h1-9,11,13-15,19,24H,10,12,16-18H2,(H,30,31) | PDB
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404319
(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) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404313
(CHEMBL269778)Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1ccccc1 Show InChI InChI=1S/C27H28N4O2S/c32-34(33,26-12-5-2-6-13-26)30-18-23-11-7-8-14-27(23)31(19-24-17-28-21-29-24)25(20-30)16-15-22-9-3-1-4-10-22/h1-14,17,21,25H,15-16,18-20H2,(H,28,29) | PDB
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404304
(CHEMBL266118)Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C27H27N5O4S/c33-32(34)24-10-6-11-26(15-24)37(35,36)30-17-22-9-4-5-12-27(22)31(18-23-16-28-20-29-23)25(19-30)14-13-21-7-2-1-3-8-21/h1-12,15-16,20,25H,13-14,17-19H2,(H,28,29) | PDB
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404307
(CHEMBL8366)Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C28H30N4O3S/c1-35-26-13-15-27(16-14-26)36(33,34)31-18-23-9-5-6-10-28(23)32(19-24-17-29-21-30-24)25(20-31)12-11-22-7-3-2-4-8-22/h2-10,13-17,21,25H,11-12,18-20H2,1H3,(H,29,30) | PDB
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404305
(CHEMBL8499)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2ncc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C31H36N4O2S/c1-31(2,3)26-14-17-28(18-15-26)38(36,37)34-21-25-11-7-8-12-29(25)35(23-30-32-19-20-33-30)27(22-34)16-13-24-9-5-4-6-10-24/h4-12,14-15,17-20,27H,13,16,21-23H2,1-3H3,(H,32,33) | PDB
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404315
(CHEMBL266958)Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1cccs1 Show InChI InChI=1S/C25H26N4O2S2/c30-33(31,25-11-6-14-32-25)28-16-21-9-4-5-10-24(21)29(17-22-15-26-19-27-22)23(18-28)13-12-20-7-2-1-3-8-20/h1-11,14-15,19,23H,12-13,16-18H2,(H,26,27) | PDB
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Similars
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404302
(CHEMBL269602)Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C29H31N5O3S/c1-22(35)32-25-12-15-28(16-13-25)38(36,37)33-18-24-9-5-6-10-29(24)34(19-26-17-30-21-31-26)27(20-33)14-11-23-7-3-2-4-8-23/h2-10,12-13,15-17,21,27H,11,14,18-20H2,1H3,(H,30,31)(H,32,35) | PDB
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Similars
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404310
(CHEMBL8240)Show SMILES Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccc(cc2)C(C)(C)C)Cc2ccccc12 Show InChI InChI=1S/C33H40N4/c1-25-31(35-24-34-25)23-37-30(19-16-26-10-6-5-7-11-26)22-36(21-28-12-8-9-13-32(28)37)20-27-14-17-29(18-15-27)33(2,3)4/h5-15,17-18,24,30H,16,19-23H2,1-4H3,(H,34,35) | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404316
(CHEMBL8247)Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H27N5O2S/c29-16-23-11-14-27(15-12-23)36(34,35)32-18-24-8-4-5-9-28(24)33(19-25-17-30-21-31-25)26(20-32)13-10-22-6-2-1-3-7-22/h1-9,11-12,14-15,17,21,26H,10,13,18-20H2,(H,30,31) | PDB
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Similars
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase |
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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404311
(CHEMBL8213)Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1cccc2cccnc12 Show InChI InChI=1S/C30H29N5O2S/c36-38(37,29-14-6-11-24-12-7-17-32-30(24)29)34-19-25-10-4-5-13-28(25)35(20-26-18-31-22-33-26)27(21-34)16-15-23-8-2-1-3-9-23/h1-14,17-18,22,27H,15-16,19-21H2,(H,31,33) | PDB
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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: 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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404309
(CHEMBL269156)Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1cccc2nonc12 Show InChI InChI=1S/C27H26N6O3S/c34-37(35,26-12-6-10-24-27(26)31-36-30-24)32-16-21-9-4-5-11-25(21)33(17-22-15-28-19-29-22)23(18-32)14-13-20-7-2-1-3-8-20/h1-12,15,19,23H,13-14,16-18H2,(H,28,29) | PDB
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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: 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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404318
(CHEMBL412904)Show SMILES Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccccc12)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29FN4O2S/c1-21-27(31-20-30-21)19-33-25(14-11-22-7-3-2-4-8-22)18-32(17-23-9-5-6-10-28(23)33)36(34,35)26-15-12-24(29)13-16-26/h2-10,12-13,15-16,20,25H,11,14,17-19H2,1H3,(H,30,31) | PDB
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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: 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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404321
(CHEMBL8407)Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1cccc2ccccc12 Show InChI InChI=1S/C31H30N4O2S/c36-38(37,31-16-8-13-25-11-4-6-14-29(25)31)34-20-26-12-5-7-15-30(26)35(21-27-19-32-23-33-27)28(22-34)18-17-24-9-2-1-3-10-24/h1-16,19,23,28H,17-18,20-22H2,(H,32,33) | PDB
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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: 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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404317
(CHEMBL8306)Show SMILES Oc1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C27H28N4O3S/c32-25-12-14-26(15-13-25)35(33,34)30-17-22-8-4-5-9-27(22)31(18-23-16-28-20-29-23)24(19-30)11-10-21-6-2-1-3-7-21/h1-9,12-16,20,24,32H,10-11,17-19H2,(H,28,29) | PDB
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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: 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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404308
(CHEMBL266555)Show SMILES Cc1ncc(CN2C(CCc3ccccc3)CN(Cc3ccccc23)S(=O)(=O)c2ccc(F)cc2)[nH]1 Show InChI InChI=1S/C28H29FN4O2S/c1-21-30-17-25(31-21)19-33-26(14-11-22-7-3-2-4-8-22)20-32(18-23-9-5-6-10-28(23)33)36(34,35)27-15-12-24(29)13-16-27/h2-10,12-13,15-17,26H,11,14,18-20H2,1H3,(H,30,31) | PDB
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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: 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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404320
(CHEMBL267942)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C27H27FN4O2S/c28-23-11-14-26(15-12-23)35(33,34)31-17-22-8-4-5-9-27(22)32(18-24-16-29-20-30-24)25(19-31)13-10-21-6-2-1-3-7-21/h1-9,11-12,14-16,20,25H,10,13,17-19H2,(H,29,30) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404306
(CHEMBL8456)Show SMILES CC(C)(C)c1ccc(CN2CC(CCc3ccccc3)N(Cc3cnc[nH]3)c3ccccc3C2)cc1 Show InChI InChI=1S/C32H38N4/c1-32(2,3)28-16-13-26(14-17-28)20-35-21-27-11-7-8-12-31(27)36(22-29-19-33-24-34-29)30(23-35)18-15-25-9-5-4-6-10-25/h4-14,16-17,19,24,30H,15,18,20-23H2,1-3H3,(H,33,34) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50142256
(4-(4-tert-Butyl-benzenesulfonyl)-1-(3H-imidazol-4-...)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C31H36N4O2S/c1-31(2,3)26-14-17-29(18-15-26)38(36,37)34-20-25-11-7-8-12-30(25)35(21-27-19-32-23-33-27)28(22-34)16-13-24-9-5-4-6-10-24/h4-12,14-15,17-19,23,28H,13,16,20-22H2,1-3H3,(H,32,33) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404303
(CHEMBL269541)Show SMILES O=S(=O)(Cc1ccccc1)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C28H30N4O2S/c33-35(34,21-24-11-5-2-6-12-24)31-18-25-13-7-8-14-28(25)32(19-26-17-29-22-30-26)27(20-31)16-15-23-9-3-1-4-10-23/h1-14,17,22,27H,15-16,18-21H2,(H,29,30) | PDB
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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: 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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50142258
(4-(4-tert-Butyl-benzenesulfonyl)-1-(5-methyl-3H-im...)Show SMILES Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccccc12)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C32H38N4O2S/c1-24-30(34-23-33-24)22-36-28(17-14-25-10-6-5-7-11-25)21-35(20-26-12-8-9-13-31(26)36)39(37,38)29-18-15-27(16-19-29)32(2,3)4/h5-13,15-16,18-19,23,28H,14,17,20-22H2,1-4H3,(H,33,34) | PDB
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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: 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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50142274
(4-(3,4-Dichloro-benzenesulfonyl)-1-(5-methyl-3H-im...)Show SMILES Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccccc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H28Cl2N4O2S/c1-20-27(32-19-31-20)18-34-23(12-11-21-7-3-2-4-8-21)17-33(16-22-9-5-6-10-28(22)34)37(35,36)24-13-14-25(29)26(30)15-24/h2-10,13-15,19,23H,11-12,16-18H2,1H3,(H,31,32) | PDB
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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: 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 | |
ATP synthase subunit beta,/delta,/epsilon,/gamma, mitochondrial
(Bos taurus) | BDBM50404312
(CHEMBL8406)Show SMILES Clc1cc(ccc1S(=O)(=O)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)C#N Show InChI InChI=1S/C28H26ClN5O2S/c29-26-14-22(15-30)11-13-28(26)37(35,36)33-17-23-8-4-5-9-27(23)34(18-24-16-31-20-32-24)25(19-33)12-10-21-6-2-1-3-7-21/h1-9,11,13-14,16,20,25H,10,12,17-19H2,(H,31,32) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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