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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'aoyagi' and Initial = 'y'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50093974
PNG
(5-Hydroxy-4-{(S)-1-hydroxy-2-[(1S,2R,5S,8aS)-1,2,5...)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@@]1(C)C[C@H](O)C1=CC(=O)OC1O |c:3,t:24|
Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21+,23?,24-,25+/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25A


Bioorg Med Chem Lett 10: 2571-4 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50093977
PNG
(4-{(S)-2-[(1S,2R,5S,8aS)-2,5-Dimethyl-5-(4-methyl-...)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@H]1C[C@H](O)C1=CC(=O)OC1O |c:3,t:23|
Show InChI InChI=1S/C24H36O4/c1-15(2)7-5-11-24(4)12-6-8-17-18(16(3)9-10-20(17)24)13-21(25)19-14-22(26)28-23(19)27/h10,14,16-18,21,23,25,27H,1,5-9,11-13H2,2-4H3/t16-,17+,18+,21+,23?,24-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25A


Bioorg Med Chem Lett 10: 2571-4 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50068035
PNG
((S)-5-Hydroxy-4-{(S)-1-hydroxy-2-[(1S,2S,5R,8aR)-1...)
Show SMILES C[C@H]1CC=C2[C@H](CCC[C@]2(C)CCCC(C)=C)[C@@]1(C)C[C@H](O)C1=CC(=O)O[C@@H]1O |c:3,t:24|
Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21-,23-,24-,25-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25A


Bioorg Med Chem Lett 10: 2571-4 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50093974
PNG
(5-Hydroxy-4-{(S)-1-hydroxy-2-[(1S,2R,5S,8aS)-1,2,5...)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@@]1(C)C[C@H](O)C1=CC(=O)OC1O |c:3,t:24|
Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21+,23?,24-,25+/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25B


Bioorg Med Chem Lett 10: 2571-4 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50068035
PNG
((S)-5-Hydroxy-4-{(S)-1-hydroxy-2-[(1S,2S,5R,8aR)-1...)
Show SMILES C[C@H]1CC=C2[C@H](CCC[C@]2(C)CCCC(C)=C)[C@@]1(C)C[C@H](O)C1=CC(=O)O[C@@H]1O |c:3,t:24|
Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21-,23-,24-,25-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25B


Bioorg Med Chem Lett 10: 2571-4 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50093977
PNG
(4-{(S)-2-[(1S,2R,5S,8aS)-2,5-Dimethyl-5-(4-methyl-...)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@H]1C[C@H](O)C1=CC(=O)OC1O |c:3,t:23|
Show InChI InChI=1S/C24H36O4/c1-15(2)7-5-11-24(4)12-6-8-17-18(16(3)9-10-20(17)24)13-21(25)19-14-22(26)28-23(19)27/h10,14,16-18,21,23,25,27H,1,5-9,11-13H2,2-4H3/t16-,17+,18+,21+,23?,24-/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25B


Bioorg Med Chem Lett 10: 2571-4 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50341997
PNG
(CHEMBL1765353 | Dysidiolide)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@]1(C)C[C@@H](O)C1=CC(=O)O[C@H]1O |r,c:3,t:24|
Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21-,23-,24-,25-/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25A


Bioorg Med Chem Lett 10: 2571-4 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50341997
PNG
(CHEMBL1765353 | Dysidiolide)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@]1(C)C[C@@H](O)C1=CC(=O)O[C@H]1O |r,c:3,t:24|
Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21-,23-,24-,25-/m1/s1
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n/an/a 8.70E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25B


Bioorg Med Chem Lett 10: 2571-4 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50093973
PNG
(5-Hydroxy-4-[1-hydroxy-2-(1-methyl-cyclohexyl)-eth...)
Show SMILES CC1(CC(O)C2=CC(=O)OC2O)CCCCC1 |t:5|
Show InChI InChI=1S/C13H20O4/c1-13(5-3-2-4-6-13)8-10(14)9-7-11(15)17-12(9)16/h7,10,12,14,16H,2-6,8H2,1H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25A


Bioorg Med Chem Lett 10: 2571-4 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50093973
PNG
(5-Hydroxy-4-[1-hydroxy-2-(1-methyl-cyclohexyl)-eth...)
Show SMILES CC1(CC(O)C2=CC(=O)OC2O)CCCCC1 |t:5|
Show InChI InChI=1S/C13H20O4/c1-13(5-3-2-4-6-13)8-10(14)9-7-11(15)17-12(9)16/h7,10,12,14,16H,2-6,8H2,1H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against Cell division cycle 25B


Bioorg Med Chem Lett 10: 2571-4 (2001)


BindingDB Entry DOI: 10.7270/Q2BR8SPT
More data for this
Ligand-Target Pair