BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'ATP synthase subunit beta, 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 beta, mitochondrial


(Saccharomyces cerevisiae)
BDBM50311123
PNG
((2R,3S,4R,5R,6S)-2-((1R,2E,4E,8S,9S,14E,16E,18E,20...)
Show SMILES COC[C@@H](CC1O[C@@](O)([C@H](O)C2C[C@H](OC)[C@@H](O)CC\C=C(/C)\C=C\[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]3OC(=O)c3ccccc3)[C@H](C)\C=C(C)\C=C(C)C=C(C)C(=O)C2)[C@H](C)[C@@H](O)[C@H]1C)O[C@H]1C[C@](C)(O)[C@@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O1
Show InChI InChI=1S/C66H102O21/c1-35-20-19-23-48(67)52(77-13)30-46(29-49(68)38(4)27-36(2)26-37(3)28-39(5)50(25-24-35)84-64-60(58(71)59(79-15)43(9)82-64)86-63(73)45-21-17-16-18-22-45)61(72)66(75)41(7)56(69)40(6)51(87-66)31-47(34-76-12)83-55-33-65(11,74)62(44(10)81-55)85-54-32-53(78-14)57(70)42(8)80-54/h16-18,20-22,24-28,39-44,46-48,50-62,64,67,69-72,74-75H,19,23,29-34H2,1-15H3/b25-24+,35-20+,36-26?,37-28+,38-27?/t39-,40+,41-,42-,43+,44+,46?,47-,48+,50-,51?,52+,53-,54+,55+,56+,57-,58-,59+,60+,61-,62+,64+,65+,66-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of yeast mitochondrial F0F1-ATPase


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


(Saccharomyces cerevisiae)
BDBM50311127
PNG
((2R,3S,4S,5S,6S)-2-((1R,2E,4E,8S,9S,14E,16E,18E,20...)
Show SMILES COC[C@@H](CC1O[C@@](O)([C@H](O)C2C[C@H](OC)[C@@H](O)CC\C=C(/C)\C=C\[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](OC(C)=O)[C@@H]3O)[C@H](C)\C=C(C)\C=C(C)C=C(C)C(=O)C2)[C@H](C)[C@@H](O)[C@H]1C)O[C@H]1C[C@](C)(O)[C@@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O1
Show InChI InChI=1S/C61H100O21/c1-31-18-17-19-44(63)48(72-14)26-42(25-45(64)34(4)23-32(2)22-33(3)24-35(5)46(21-20-31)80-59-54(67)56(78-41(11)62)55(74-16)39(9)77-59)57(68)61(70)37(7)52(65)36(6)47(82-61)27-43(30-71-13)79-51-29-60(12,69)58(40(10)76-51)81-50-28-49(73-15)53(66)38(8)75-50/h18,20-24,35-40,42-44,46-59,63,65-70H,17,19,25-30H2,1-16H3/b21-20+,31-18+,32-22?,33-24+,34-23?/t35-,36+,37-,38-,39+,40+,42?,43-,44+,46-,47?,48+,49-,50+,51+,52+,53-,54+,55+,56+,57-,58+,59+,60+,61-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of yeast mitochondrial F0F1-ATPase


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


(Saccharomyces cerevisiae)
BDBM50311124
PNG
((2R,3R,4S,5S)-6-((R)-2-((2R,4S,5S,6S)-5-((2S,4R,5R...)
Show SMILES COC[C@@H](CC1O[C@@](O)([C@H](O)C2C[C@H](OC)[C@@H](O)CC\C=C(/C)\C=C\[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]3O)[C@H](C)\C=C(C)\C=C(C)C=C(C)C(=O)C2)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)O[C@H]1C[C@](C)(O)[C@@H](O[C@H]2C[C@@H](OC)[C@H](OC(C)=O)[C@@H](C)O2)[C@H](C)O1
Show InChI InChI=1S/C63H102O22/c1-32-19-18-20-46(66)50(74-15)27-44(26-47(67)35(4)24-33(2)23-34(3)25-36(5)48(22-21-32)83-61-55(69)54(68)58(76-17)40(9)79-61)59(70)63(72)38(7)56(80-42(11)64)37(6)49(85-63)28-45(31-73-14)82-53-30-62(13,71)60(41(10)78-53)84-52-29-51(75-16)57(39(8)77-52)81-43(12)65/h19,21-25,36-41,44-46,48-61,66,68-72H,18,20,26-31H2,1-17H3/b22-21+,32-19+,33-23?,34-25+,35-24?/t36-,37+,38-,39-,40+,41+,44?,45-,46+,48-,49?,50+,51-,52+,53+,54+,55+,56+,57-,58+,59-,60+,61+,62+,63-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of yeast mitochondrial F0F1-ATPase


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


(Saccharomyces cerevisiae)
BDBM50311122
PNG
(Apoptolidin A | CHEMBL1077464)
Show SMILES COC[C@@H](CC1O[C@@](O)([C@H](O)C2C[C@H](OC)[C@@H](O)CC\C=C(/C)\C=C\[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]3O)[C@H](C)\C=C(C)\C=C(C)C=C(C)C(=O)C2)[C@H](C)[C@@H](O)[C@H]1C)O[C@H]1C[C@](C)(O)[C@@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O1
Show InChI InChI=1S/C59H98O20/c1-30-17-16-18-42(60)46(70-13)25-40(24-43(61)33(4)22-31(2)21-32(3)23-34(5)44(20-19-30)77-57-53(65)52(64)54(72-15)38(9)75-57)55(66)59(68)36(7)50(62)35(6)45(79-59)26-41(29-69-12)76-49-28-58(11,67)56(39(10)74-49)78-48-27-47(71-14)51(63)37(8)73-48/h17,19-23,34-42,44-57,60,62-68H,16,18,24-29H2,1-15H3/b20-19+,30-17+,31-21?,32-23+,33-22?/t34-,35+,36-,37-,38+,39+,40?,41-,42+,44-,45?,46+,47-,48+,49+,50+,51-,52+,53+,54+,55-,56+,57+,58+,59-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of yeast mitochondrial F0F1-ATPase


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


(Saccharomyces cerevisiae)
BDBM50311126
PNG
((1S,4E,6E,8R,9R,10E,12E,14E,20S)-8-((2R,3S,4S,5R,6...)
Show SMILES COC[C@@H](CC1O[C@@](O)([C@H](O)C2C[C@H](OC)[C@H](CC\C=C(/C)\C=C\[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]3O)[C@H](C)\C=C(C)\C=C(C)C=C(C)C(=O)C2)OC(C)=O)[C@H](C)[C@@H](O)[C@H]1C)O[C@H]1C[C@](C)(O)[C@@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O1
Show InChI InChI=1S/C61H100O21/c1-31-18-17-19-46(78-41(11)62)48(72-14)26-42(25-44(63)34(4)23-32(2)22-33(3)24-35(5)45(21-20-31)80-59-55(67)54(66)56(74-16)39(9)77-59)57(68)61(70)37(7)52(64)36(6)47(82-61)27-43(30-71-13)79-51-29-60(12,69)58(40(10)76-51)81-50-28-49(73-15)53(65)38(8)75-50/h18,20-24,35-40,42-43,45-59,64-70H,17,19,25-30H2,1-16H3/b21-20+,31-18+,32-22?,33-24+,34-23?/t35-,36+,37-,38-,39+,40+,42?,43-,45-,46+,47?,48+,49-,50+,51+,52+,53-,54+,55+,56+,57-,58+,59+,60+,61-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of yeast mitochondrial F0F1-ATPase


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


(Saccharomyces cerevisiae)
BDBM50311125
PNG
((2R,3R,4R,6S)-6-((2S,3S,4S,6R)-6-((2R)-1-((3R,4S,5...)
Show SMILES COC[C@@H](CC1O[C@@](O)([C@H](O)C2C[C@H](OC)[C@@H](O)CC\C=C(/C)\C=C\[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]3O)[C@H](C)\C=C(C)\C=C(C)C=C(C)C(=O)C2)[C@H](C)[C@@H](O)[C@H]1C)O[C@H]1C[C@](C)(O)[C@@H](O[C@H]2C[C@@H](OC)[C@H](OC(C)=O)[C@@H](C)O2)[C@H](C)O1
Show InChI InChI=1S/C61H100O21/c1-31-18-17-19-44(63)48(72-14)26-42(25-45(64)34(4)23-32(2)22-33(3)24-35(5)46(21-20-31)80-59-54(67)53(66)56(74-16)39(9)77-59)57(68)61(70)37(7)52(65)36(6)47(82-61)27-43(30-71-13)79-51-29-60(12,69)58(40(10)76-51)81-50-28-49(73-15)55(38(8)75-50)78-41(11)62/h18,20-24,35-40,42-44,46-59,63,65-70H,17,19,25-30H2,1-16H3/b21-20+,31-18+,32-22?,33-24+,34-23?/t35-,36+,37-,38-,39+,40+,42?,43-,44+,46-,47?,48+,49-,50+,51+,52+,53+,54+,55-,56+,57-,58+,59+,60+,61-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of yeast mitochondrial F0F1-ATPase


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


(Saccharomyces cerevisiae)
BDBM50311128
PNG
((1R)-((4E,6E,8E,10R,11R,12E,14E,18S,19S)-11-((2R,3...)
Show SMILES COC[C@@H](CC1O[C@@](O)([C@H](OC(C)=O)C2C[C@H](OC)[C@@H](O)CC\C=C(/C)\C=C\[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]3O)[C@H](C)\C=C(C)\C=C(C)C=C(C)C(=O)C2)[C@H](C)[C@@H](O)[C@H]1C)O[C@H]1C[C@](C)(O)[C@@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O1
Show InChI InChI=1S/C61H100O21/c1-31-18-17-19-44(63)48(72-14)26-42(25-45(64)34(4)23-32(2)22-33(3)24-35(5)46(21-20-31)80-59-55(68)54(67)56(74-16)39(9)77-59)58(78-41(11)62)61(70)37(7)52(65)36(6)47(82-61)27-43(30-71-13)79-51-29-60(12,69)57(40(10)76-51)81-50-28-49(73-15)53(66)38(8)75-50/h18,20-24,35-40,42-44,46-59,63,65-70H,17,19,25-30H2,1-16H3/b21-20+,31-18+,32-22?,33-24+,34-23?/t35-,36+,37-,38-,39+,40+,42?,43-,44+,46-,47?,48+,49-,50+,51+,52+,53-,54+,55+,56+,57+,58-,59+,60+,61-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of yeast mitochondrial F0F1-ATPase


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


(Saccharomyces cerevisiae)
BDBM50311129
PNG
((2E,4E,6E,8R,9R,10E,12E,16S,17S)-9-((2R,3S,4S,5R,6...)
Show SMILES COC[C@@H](CC1O[C@@](O)([C@H](OC)C2C[C@H](OC)[C@@H](O)CC\C=C(/C)\C=C\[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]3O)[C@H](C)\C=C(C)\C=C(C)C=C(C)C(=O)C2)[C@H](C)[C@@H](O)[C@H]1C)O[C@H]1C[C@](C)(O)[C@@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O1
Show InChI InChI=1S/C60H100O20/c1-31-18-17-19-43(61)47(70-13)26-41(25-44(62)34(4)23-32(2)22-33(3)24-35(5)45(21-20-31)78-58-54(66)53(65)55(72-15)39(9)76-58)57(73-16)60(68)37(7)51(63)36(6)46(80-60)27-42(30-69-12)77-50-29-59(11,67)56(40(10)75-50)79-49-28-48(71-14)52(64)38(8)74-49/h18,20-24,35-43,45-58,61,63-68H,17,19,25-30H2,1-16H3/b21-20+,31-18+,32-22?,33-24+,34-23?/t35-,36+,37-,38-,39+,40+,41?,42-,43+,45-,46?,47+,48-,49+,50+,51+,52-,53+,54+,55+,56+,57-,58+,59+,60-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of yeast mitochondrial F0F1-ATPase


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


(Saccharomyces cerevisiae)
BDBM50311130
PNG
(CHEMBL1077479 | Isoapoptolidin)
Show SMILES COC[C@@H](CC1O[C@](O)([C@H](C)[C@@H](O)[C@H]1C)[C@@H]1OC(=O)\C(C)=C\C(\C)=C\C(\C)=C\[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](O)[C@@H]2O)\C=C\C(\C)=C\CC[C@H](O)[C@H](C[C@@H]1O)OC)O[C@H]1C[C@](C)(O)[C@@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@H](C)O1
Show InChI InChI=1S/C58H96O21/c1-29-17-16-18-40(59)44(69-13)25-41(60)54(78-55(65)33(5)23-31(3)21-30(2)22-32(4)42(20-19-29)76-56-51(64)50(63)52(71-15)37(9)74-56)58(67)35(7)48(61)34(6)43(79-58)24-39(28-68-12)75-47-27-57(11,66)53(38(10)73-47)77-46-26-45(70-14)49(62)36(8)72-46/h17,19-23,32,34-54,56,59-64,66-67H,16,18,24-28H2,1-15H3/b20-19+,29-17+,30-22+,31-21+,33-23+/t32-,34+,35-,36-,37+,38+,39-,40+,41+,42-,43?,44+,45-,46+,47+,48+,49-,50+,51+,52+,53+,54-,56+,57+,58-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of yeast mitochondrial F0F1-ATPase


Citation and Details
More data for this
Ligand-Target Pair