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Found 79 hits Enz. Inhib. hit(s) with Target = 'Sarcoplasmic/endoplasmic reticulum calcium ATP-ase' AND taxid = 9986   
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
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50035612
PNG
(CHEMBL96926 | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1
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PubMed
n/an/a 0.200n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326748
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyrylo...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C36H48O12/c1-7-9-10-11-15-19-26(39)45-30-28-27(21(3)29(30)46-32(40)23-17-13-12-14-18-23)31-36(43,35(6,42)33(41)47-31)24(44-25(38)16-8-2)20-34(28,5)48-22(4)37/h12-14,17-18,24,28-31,42-43H,7-11,15-16,19-20H2,1-6H3/t24-,28+,29-,30-,31-,34-,35+,36+/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326743
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyrylo...)
Show SMILES CCCC(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]2OC(=O)[C@@](C)(O)[C@@]12O
Show InChI InChI=1S/C33H40O12/c1-8-13-22(35)41-21-16-31(6,45-19(5)34)24-23(27-33(21,40)32(7,39)30(38)44-27)18(4)25(42-28(36)17(3)9-2)26(24)43-29(37)20-14-11-10-12-15-20/h9-12,14-15,21,24-27,39-40H,8,13,16H2,1-7H3/b17-9-/t21-,24+,25-,26-,27-,31-,32+,33+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326737
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-3,3a-dihydroxy-3,6,9-...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)CCC)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C36H54O12/c1-9-13-14-15-16-19-25(38)45-30-28-27(22(6)29(30)46-32(40)21(5)12-4)31-36(43,35(8,42)33(41)47-31)23(44-24(37)17-10-2)20-34(28,7)48-26(39)18-11-3/h12,23,28-31,42-43H,9-11,13-20H2,1-8H3/b21-12-/t23-,28+,29-,30-,31-,34-,35+,36+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326751
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyrylo...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2-c2ccccc2)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C42H52O12/c1-7-9-10-11-15-23-32(45)51-36-34-33(25(3)35(36)52-38(46)29-22-17-16-21-28(29)27-19-13-12-14-20-27)37-42(49,41(6,48)39(47)53-37)30(50-31(44)18-8-2)24-40(34,5)54-26(4)43/h12-14,16-17,19-22,30,34-37,48-49H,7-11,15,18,23-24H2,1-6H3/t30-,34+,35-,36-,37-,40-,41+,42+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326749
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyrylo...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)c2cccc(C)c2)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C37H50O12/c1-8-10-11-12-13-18-27(40)46-31-29-28(22(4)30(31)47-33(41)24-17-14-16-21(3)19-24)32-37(44,36(7,43)34(42)48-32)25(45-26(39)15-9-2)20-35(29,6)49-23(5)38/h14,16-17,19,25,29-32,43-44H,8-13,15,18,20H2,1-7H3/t25-,29+,30-,31-,32-,35-,36+,37+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326742
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-3,3a,4-trih...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@@H](O)C[C@](C)(OC(C)=O)[C@@H]12
Show InChI InChI=1S/C30H44O11/c1-8-10-11-12-13-14-20(33)38-24-22-21(17(4)23(24)39-26(34)16(3)9-2)25-30(37,29(7,36)27(35)40-25)19(32)15-28(22,6)41-18(5)31/h9,19,22-25,32,36-37H,8,10-15H2,1-7H3/b16-9-/t19-,22+,23-,24-,25-,28-,29+,30+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326746
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-3a-hydroxy-3,6,9-trim...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(OC(=O)CCC)[C@@]3(O)[C@H](C[C@](C)(OC(=O)CCC)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C40H60O13/c1-10-15-16-17-18-22-28(42)49-34-32-31(25(7)33(34)50-36(45)24(6)14-5)35-40(47,39(9,37(46)51-35)53-30(44)21-13-4)26(48-27(41)19-11-2)23-38(32,8)52-29(43)20-12-3/h14,26,32-35,47H,10-13,15-23H2,1-9H3/b24-14-/t26-,32+,33-,34-,35-,38-,39+,40+/m0/s1
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n/an/a 11.1n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326739
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-4-(butyryloxy)-3,3a-d...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)c3ccccc3)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C39H52O12/c1-8-11-12-13-17-21-28(41)48-32-30-29(24(5)31(32)49-34(42)23(4)10-3)33-39(46,38(7,45)36(44)50-33)26(47-27(40)18-9-2)22-37(30,6)51-35(43)25-19-15-14-16-20-25/h10,14-16,19-20,26,30-33,45-46H,8-9,11-13,17-18,21-22H2,1-7H3/b23-10-/t26-,30+,31-,32-,33-,37-,38+,39+/m0/s1
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n/an/a 15.6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326738
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-4-(butyryloxy)-3,3a-d...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)CCCCCCC)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C40H62O12/c1-9-13-15-17-19-22-29(42)49-34-32-31(26(6)33(34)50-36(44)25(5)12-4)35-40(47,39(8,46)37(45)51-35)27(48-28(41)21-11-3)24-38(32,7)52-30(43)23-20-18-16-14-10-2/h12,27,32-35,46-47H,9-11,13-24H2,1-8H3/b25-12-/t27-,32+,33-,34-,35-,38-,39+,40+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326750
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-8-(2-(biphe...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)Cc2ccc(cc2)-c2ccccc2)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C43H54O12/c1-7-9-10-11-15-19-33(46)52-38-36-35(26(3)37(38)53-34(47)24-28-20-22-30(23-21-28)29-17-13-12-14-18-29)39-43(50,42(6,49)40(48)54-39)31(51-32(45)16-8-2)25-41(36,5)55-27(4)44/h12-14,17-18,20-23,31,36-39,49-50H,7-11,15-16,19,24-25H2,1-6H3/t31-,36+,37-,38-,39-,41-,42+,43+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326745
PNG
(CHEMBL1253588 | Octanoic acid(2aS,5aS,7S,7aR,8S,9S...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@]4(C)OC(C)(C)O[C@@H](C[C@](C)(OC(=O)CCC)[C@@H]12)[C@@]34O
Show InChI InChI=1S/C35H52O11/c1-10-13-14-15-16-18-23(36)41-28-26-25(21(5)27(28)42-30(38)20(4)12-3)29-35(40)22(19-33(26,8)45-24(37)17-11-2)44-32(6,7)46-34(35,9)31(39)43-29/h12,22,26-29,40H,10-11,13-19H2,1-9H3/b20-12-/t22-,26+,27-,28-,29-,33-,34+,35+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326735
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-4-(butyryloxy)-3,3a,6...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(O)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C32H48O11/c1-8-11-12-13-14-16-22(34)41-26-24-23(19(5)25(26)42-28(35)18(4)10-3)27-32(39,31(7,38)29(36)43-27)20(17-30(24,6)37)40-21(33)15-9-2/h10,20,24-27,37-39H,8-9,11-17H2,1-7H3/b18-10-/t20-,24+,25-,26-,27-,30-,31+,32+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326736
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-3,3a,6-trihydroxy-3,6...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(O)[C@@H]12)OC(=O)CCCCCCC
Show InChI InChI=1S/C36H56O11/c1-8-11-13-15-17-19-25(37)44-24-21-34(6,41)28-27(31-36(24,43)35(7,42)33(40)47-31)23(5)29(46-32(39)22(4)10-3)30(28)45-26(38)20-18-16-14-12-9-2/h10,24,28-31,41-43H,8-9,11-21H2,1-7H3/b22-10-/t24-,28+,29-,30-,31-,34-,35+,36+/m0/s1
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PubMed
n/an/a 20n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326741
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(2-(biphenyl-4-yl)a...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)Cc3ccc(cc3)-c3ccccc3)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C46H58O12/c1-8-11-12-13-17-21-35(48)55-40-38-37(29(5)39(40)56-42(50)28(4)10-3)41-46(53,45(7,52)43(51)57-41)33(54-34(47)18-9-2)27-44(38,6)58-36(49)26-30-22-24-32(25-23-30)31-19-15-14-16-20-31/h10,14-16,19-20,22-25,33,38-41,52-53H,8-9,11-13,17-18,21,26-27H2,1-7H3/b28-10-/t33-,38+,39-,40-,41-,44-,45+,46+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326752
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyrylo...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)c2ccc(C)cc2)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C37H50O12/c1-8-10-11-12-13-15-27(40)46-31-29-28(22(4)30(31)47-33(41)24-18-16-21(3)17-19-24)32-37(44,36(7,43)34(42)48-32)25(45-26(39)14-9-2)20-35(29,6)49-23(5)38/h16-19,25,29-32,43-44H,8-15,20H2,1-7H3/t25-,29+,30-,31-,32-,35-,36+,37+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326740
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-4-(butyryloxy)-3,3a-d...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)c3ccc(cc3)-c3ccccc3)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C45H56O12/c1-8-11-12-13-17-21-34(47)54-38-36-35(28(5)37(38)55-40(48)27(4)10-3)39-45(52,44(7,51)42(50)56-39)32(53-33(46)18-9-2)26-43(36,6)57-41(49)31-24-22-30(23-25-31)29-19-15-14-16-20-29/h10,14-16,19-20,22-25,32,36-39,51-52H,8-9,11-13,17-18,21,26H2,1-7H3/b27-10-/t32-,36+,37-,38-,39-,43-,44+,45+/m0/s1
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n/an/a>70n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326747
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyrylo...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](O)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C29H44O11/c1-7-9-10-11-12-14-20(32)38-24-22-21(16(3)23(24)33)25-29(36,28(6,35)26(34)39-25)18(37-19(31)13-8-2)15-27(22,5)40-17(4)30/h18,22-25,33,35-36H,7-15H2,1-6H3/t18-,22+,23-,24-,25-,27-,28+,29+/m0/s1
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n/an/a>70n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326753
PNG
((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyrylo...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)c2ccc(cc2)-c2ccccc2)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
Show InChI InChI=1S/C42H52O12/c1-7-9-10-11-15-19-32(45)51-36-34-33(25(3)35(36)52-38(46)29-22-20-28(21-23-29)27-17-13-12-14-18-27)37-42(49,41(6,48)39(47)53-37)30(50-31(44)16-8-2)24-40(34,5)54-26(4)43/h12-14,17-18,20-23,30,34-37,48-49H,7-11,15-16,19,24H2,1-6H3/t30-,34+,35-,36-,37-,40-,41+,42+/m0/s1
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n/an/a>70n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase


(Oryctolagus cuniculus)
BDBM50326744
PNG
(CHEMBL1253587 | Octanoic acid(2aS,5aS,7S,7aR,8S,9S...)
Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@]4(C)OC(C)(C)O[C@@H](C[C@](C)(OC(=O)CCC)[C@@H]12)[C@@]34OC(=O)CCC
Show InChI InChI=1S/C39H58O12/c1-11-15-16-17-18-21-26(40)45-32-30-29(24(6)31(32)46-34(43)23(5)14-4)33-39(50-28(42)20-13-3)25(22-37(30,9)49-27(41)19-12-2)48-36(7,8)51-38(39,10)35(44)47-33/h14,25,30-33H,11-13,15-22H2,1-10H3/b23-14-/t25-,30+,31-,32-,33-,37-,38+,39+/m0/s1
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n/an/a>70n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay


Bioorg Med Chem 18: 5634-46 (2010)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34117
PNG
(hydroquinone derivative, 5a)
Show SMILES CCC(C)(C)c1cc(O)c(cc1O)C(C)(C)CC
Show InChI InChI=1S/C16H26O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3
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n/an/a 340n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34118
PNG
(hydroquinone derivative, 5b)
Show SMILES CCC(C)(CC)c1cc(O)c(cc1O)C(C)(CC)CC
Show InChI InChI=1S/C18H30O2/c1-7-17(5,8-2)13-11-16(20)14(12-15(13)19)18(6,9-3)10-4/h11-12,19-20H,7-10H2,1-6H3
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n/an/a 610n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34125
PNG
(2-Phenylhydroquinone, 7 | hydroquinone derivative,...)
Show SMILES Oc1ccc(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H
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n/an/a 2.29E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34122
PNG
(hydroquinone derivative, 9)
Show SMILES CC(C)(C)c1cc(OC(=O)CCCN)c(cc1O)C(C)(C)C
Show InChI InChI=1S/C18H29NO3/c1-17(2,3)12-11-15(22-16(21)8-7-9-19)13(10-14(12)20)18(4,5)6/h10-11,20H,7-9,19H2,1-6H3
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n/an/a 2.60E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34119
PNG
(hydroquinone derivative, 5c)
Show SMILES CCC(CC)(CC)c1cc(O)c(cc1O)C(CC)(CC)CC
Show InChI InChI=1S/C20H34O2/c1-7-19(8-2,9-3)15-13-18(22)16(14-17(15)21)20(10-4,11-5)12-6/h13-14,21-22H,7-12H2,1-6H3
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n/an/a 3.30E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34115
PNG
(hydroquinone derivative, 3a)
Show SMILES CCC(C)(C)c1cc(O)c(Cc2ccc(cc2)[N+]([O-])=O)cc1O
Show InChI InChI=1S/C18H21NO4/c1-4-18(2,3)15-11-16(20)13(10-17(15)21)9-12-5-7-14(8-6-12)19(22)23/h5-8,10-11,20-21H,4,9H2,1-3H3
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n/an/a 3.80E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34112
PNG
(hydroquinone derivative, 2b)
Show SMILES Oc1ccc(O)c(Cc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C13H11NO4/c15-12-5-6-13(16)10(8-12)7-9-1-3-11(4-2-9)14(17)18/h1-6,8,15-16H,7H2
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n/an/a 5.70E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34120
PNG
(hydroquinone derivative, 6)
Show SMILES Oc1cc(CC=C)c(O)cc1CC=C
Show InChI InChI=1S/C12H14O2/c1-3-5-9-7-12(14)10(6-4-2)8-11(9)13/h3-4,7-8,13-14H,1-2,5-6H2
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n/an/a 6.00E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34113
PNG
(hydroquinone derivative, 2c)
Show SMILES COc1ccc(Cc2cc(O)ccc2O)cc1
Show InChI InChI=1S/C14H14O3/c1-17-13-5-2-10(3-6-13)8-11-9-12(15)4-7-14(11)16/h2-7,9,15-16H,8H2,1H3
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n/an/a 7.30E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34134
PNG
(2,5-dibenzylbenzene-1,4-diol, 6a)
Show SMILES Oc1cc(Cc2ccccc2)c(O)cc1Cc1ccccc1
Show InChI InChI=1S/C20H18O2/c21-19-14-18(12-16-9-5-2-6-10-16)20(22)13-17(19)11-15-7-3-1-4-8-15/h1-10,13-14,21-22H,11-12H2
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n/an/a 9.40E+3n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34124
PNG
(hydroquinone derivative, 1b)
Show SMILES Oc1ccc(O)c(c1)C1CCCCCCC1
Show InChI InChI=1S/C14H20O2/c15-12-8-9-14(16)13(10-12)11-6-4-2-1-3-5-7-11/h8-11,15-16H,1-7H2
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n/an/a 1.15E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34131
PNG
(2,2-methanediylbis(4-tert-butylphenol), 5a)
Show SMILES CC(C)(C)c1ccc(O)c(Cc2cc(ccc2O)C(C)(C)C)c1
Show InChI InChI=1S/C21H28O2/c1-20(2,3)16-7-9-18(22)14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)23/h7-10,12-13,22-23H,11H2,1-6H3
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n/an/a 1.18E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34116
PNG
(hydroquinone derivative, 3b)
Show SMILES CCC(C)(CC)c1cc(O)c(Cc2ccc(cc2)[N+]([O-])=O)cc1O
Show InChI InChI=1S/C19H23NO4/c1-4-19(3,5-2)16-12-17(21)14(11-18(16)22)10-13-6-8-15(9-7-13)20(23)24/h6-9,11-12,21-22H,4-5,10H2,1-3H3
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n/an/a 1.20E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34136
PNG
(1,1-methanediyldinaphthalen-2-ol, 7b)
Show SMILES Oc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12
Show InChI InChI=1S/C21H16O2/c22-20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)23/h1-12,22-23H,13H2
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n/an/a 1.50E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34139
PNG
(4-(7-methyloctyl)phenol, 10)
Show SMILES CC(C)CCCCCCc1ccc(O)cc1
Show InChI InChI=1S/C15H24O/c1-13(2)7-5-3-4-6-8-14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3
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n/an/a 1.72E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34123
PNG
(phenol derivative, 1a)
Show SMILES CC(C)Cc1ccc(CC(C)C)c(O)c1
Show InChI InChI=1S/C14H22O/c1-10(2)7-12-5-6-13(8-11(3)4)14(15)9-12/h5-6,9-11,15H,7-8H2,1-4H3
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n/an/a 1.88E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34126
PNG
(bis(2,6-dimethylphenol), 2)
Show SMILES Cc1cc(cc(C)c1O)C(C)(C)c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3
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n/an/a 1.95E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34111
PNG
(BMC171353 Compound 6b | hydroquinone derivative, 2...)
Show SMILES Oc1ccc(O)c(Cc2ccccc2)c1
Show InChI InChI=1S/C13H12O2/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2
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n/an/a 2.02E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34140
PNG
(2,2,2-methanetriyltris(4-tert-butylphenol), 11)
Show SMILES CC(C)(C)c1ccc(O)c(c1)C(c1cc(ccc1O)C(C)(C)C)c1cc(ccc1O)C(C)(C)C
Show InChI InChI=1S/C31H40O3/c1-29(2,3)19-10-13-25(32)22(16-19)28(23-17-20(30(4,5)6)11-14-26(23)33)24-18-21(31(7,8)9)12-15-27(24)34/h10-18,28,32-34H,1-9H3
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n/an/a 2.13E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34138
PNG
(4,5-dibenzylbenzene-1,2-diol, 9)
Show SMILES Oc1cc(Cc2ccccc2)c(Cc2ccccc2)cc1O
Show InChI InChI=1S/C20H18O2/c21-19-13-17(11-15-7-3-1-4-8-15)18(14-20(19)22)12-16-9-5-2-6-10-16/h1-10,13-14,21-22H,11-12H2
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n/an/a 2.38E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34135
PNG
(1-(naphthalen-1-ylmethyl)naphthalen-2-ol, 7a)
Show SMILES Oc1ccc2ccccc2c1Cc1cccc2ccccc12
Show InChI InChI=1S/C21H16O/c22-21-13-12-16-7-2-4-11-19(16)20(21)14-17-9-5-8-15-6-1-3-10-18(15)17/h1-13,22H,14H2
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n/an/a 2.73E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34127
PNG
(6-tert-butyl-2,3-dihydro-1H-inden-5-ol, 3)
Show SMILES CC(C)(C)c1cc2CCCc2cc1O
Show InChI InChI=1S/C13H18O/c1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14/h7-8,14H,4-6H2,1-3H3
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n/an/a 2.81E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34137
PNG
(4,4-butane-2,3-diyldiphenol, 8)
Show SMILES CC(C(C)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C16H18O2/c1-11(13-3-7-15(17)8-4-13)12(2)14-5-9-16(18)10-6-14/h3-12,17-18H,1-2H3
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n/an/a 2.83E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34121
PNG
(hydroquinone derivative, 8b)
Show SMILES CC(C)(C)OC(=O)NCCCC(=O)Oc1cc(c(O)cc1C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H37NO5/c1-21(2,3)15-14-18(16(13-17(15)25)22(4,5)6)28-19(26)11-10-12-24-20(27)29-23(7,8)9/h13-14,25H,10-12H2,1-9H3,(H,24,27)
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n/an/a 2.90E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34128
PNG
(2,4-di-tert-butyl-6-(1-phenylethyl)phenol, 4a)
Show SMILES CC(c1ccccc1)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C22H30O/c1-15(16-11-9-8-10-12-16)18-13-17(21(2,3)4)14-19(20(18)23)22(5,6)7/h8-15,23H,1-7H3
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n/an/a 3.38E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34129
PNG
(2,4-di-tert-butyl-6-[1-(4-methoxyphenyl)ethyl]phen...)
Show SMILES COc1ccc(cc1)C(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H32O2/c1-15(16-9-11-18(25-8)12-10-16)19-13-17(22(2,3)4)14-20(21(19)24)23(5,6)7/h9-15,24H,1-8H3
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n/an/a 3.53E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34133
PNG
(4,4-butane-2,2-diylbis(2-methylphenol), 5c)
Show SMILES CCC(C)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
Show InChI InChI=1S/C18H22O2/c1-5-18(4,14-6-8-16(19)12(2)10-14)15-7-9-17(20)13(3)11-15/h6-11,19-20H,5H2,1-4H3
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n/an/a 3.93E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34130
PNG
(2,6-di-tert-butyl-4-[1-(4-methoxyphenyl)ethyl]phen...)
Show SMILES COc1ccc(cc1)C(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H32O2/c1-15(16-9-11-18(25-8)12-10-16)17-13-19(22(2,3)4)21(24)20(14-17)23(5,6)7/h9-15,24H,1-8H3
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n/an/a 4.54E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34132
PNG
(4-(1,1-diphenylethyl)phenol, 5b)
Show SMILES CC(c1ccccc1)(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C20H18O/c1-20(16-8-4-2-5-9-16,17-10-6-3-7-11-17)18-12-14-19(21)15-13-18/h2-15,21H,1H3
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n/an/a 4.97E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 1353-60 (2009)

More data for this
Ligand-Target Pair
Sarco/endoplasmic Reticulum Ca2+ ATPase 1


(Oryctolagus cuniculus)
BDBM34114
PNG
(hydroquinone derivative, 2d)
Show SMILES Oc1ccc(O)c(Cc2ccco2)c1
Show InChI InChI=1S/C11H10O3/c12-9-3-4-11(13)8(6-9)7-10-2-1-5-14-10/h1-6,12-13H,7H2
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n/an/a 5.20E+4n/an/an/an/a7.337



Northern Kentucky University



Assay Description
Inhibitory potencies of compounds were determined in a coupled ATPase activity assay using SERCA microsomes at 14 different inhibitor concentrations....


Bioorg Med Chem 17: 6613-9 (2009)

More data for this
Ligand-Target Pair
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