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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 monooxygenase' AND taxid = 3702   
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
Cytochrome P450 monooxygenase


(Arabidopsis thaliana)
BDBM50184728
PNG
(5-((1S,2S,6S)-1,2-dihydroxy-6-methylcyclohexyl)pen...)
Show SMILES C[C@H]1CCC[C@H](O)[C@@]1(O)\C=C\C=C/C(O)=O
Show InChI InChI=1S/C12H18O4/c1-9-5-4-6-10(13)12(9,16)8-3-2-7-11(14)15/h2-3,7-10,13,16H,4-6H2,1H3,(H,14,15)/b7-2-,8-3+/t9-,10-,12+/m0/s1
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140n/an/an/an/an/an/an/an/a



Shizuoka University

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis recombinant CYP707A3


Bioorg Med Chem Lett 16: 3302-5 (2006)

More data for this
Ligand-Target Pair
Cytochrome P450 monooxygenase


(Arabidopsis thaliana)
BDBM50174072
PNG
((+)-8',8'-difluoro-ABA | CHEMBL199709)
Show SMILES CC(C=C[C@@]1(O)C(C)=CC(=O)C[C@]1(C)C(F)F)=CC(O)=O
Show InChI InChI=1S/C15H18F2O4/c1-9(6-12(19)20)4-5-15(21)10(2)7-11(18)8-14(15,3)13(16)17/h4-7,13,21H,8H2,1-3H3,(H,19,20)/t14-,15-/m1/s1
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170n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CYP707A3 in Arabidopsis


Bioorg Med Chem Lett 15: 5226-9 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 monooxygenase


(Arabidopsis thaliana)
BDBM50174070
PNG
((+)-(2Z,4E)-5-((1S,6S)-1-hydroxy-2,2,6-trimethylcy...)
Show SMILES C[C@H]1CCCC(C)(C)[C@@]1(O)\C=C\C=C/C(O)=O
Show InChI InChI=1S/C14H22O3/c1-11-7-6-9-13(2,3)14(11,17)10-5-4-8-12(15)16/h4-5,8,10-11,17H,6-7,9H2,1-3H3,(H,15,16)/b8-4-,10-5+/t11-,14+/m0/s1
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400n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CYP707A3 in Arabidopsis


Bioorg Med Chem Lett 15: 5226-9 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 monooxygenase


(Arabidopsis thaliana)
BDBM50174069
PNG
((1'S*,2'S*,6'S*)-(+/-)-6-nor-2',3'-dihydro-4'-deox...)
Show SMILES C[C@H]1CCC[C@](C)(C(F)F)[C@@]1(O)\C=C\C=C/C(O)=O
Show InChI InChI=1S/C14H20F2O3/c1-10-6-5-8-13(2,12(15)16)14(10,19)9-4-3-7-11(17)18/h3-4,7,9-10,12,19H,5-6,8H2,1-2H3,(H,17,18)/b7-3-,9-4+/t10-,13+,14+/m0/s1
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410n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CYP707A3 in Arabidopsis


Bioorg Med Chem Lett 15: 5226-9 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 monooxygenase


(Arabidopsis thaliana)
BDBM50174070
PNG
((+)-(2Z,4E)-5-((1S,6S)-1-hydroxy-2,2,6-trimethylcy...)
Show SMILES C[C@H]1CCCC(C)(C)[C@@]1(O)\C=C\C=C/C(O)=O
Show InChI InChI=1S/C14H22O3/c1-11-7-6-9-13(2,3)14(11,17)10-5-4-8-12(15)16/h4-5,8,10-11,17H,6-7,9H2,1-3H3,(H,15,16)/b8-4-,10-5+/t11-,14+/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Shizuoka University

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis recombinant CYP707A3


Bioorg Med Chem Lett 16: 3302-5 (2006)

More data for this
Ligand-Target Pair
Cytochrome P450 monooxygenase


(Arabidopsis thaliana)
BDBM50174069
PNG
((1'S*,2'S*,6'S*)-(+/-)-6-nor-2',3'-dihydro-4'-deox...)
Show SMILES C[C@H]1CCC[C@](C)(C(F)F)[C@@]1(O)\C=C\C=C/C(O)=O
Show InChI InChI=1S/C14H20F2O3/c1-10-6-5-8-13(2,12(15)16)14(10,19)9-4-3-7-11(17)18/h3-4,7,9-10,12,19H,5-6,8H2,1-2H3,(H,17,18)/b7-3-,9-4+/t10-,13+,14+/m0/s1
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n/an/a 630n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CYP707A3 in Arabidopsis


Bioorg Med Chem Lett 15: 5226-9 (2005)

More data for this
Ligand-Target Pair
Cytochrome P450 monooxygenase


(Arabidopsis thaliana)
BDBM50174070
PNG
((+)-(2Z,4E)-5-((1S,6S)-1-hydroxy-2,2,6-trimethylcy...)
Show SMILES C[C@H]1CCCC(C)(C)[C@@]1(O)\C=C\C=C/C(O)=O
Show InChI InChI=1S/C14H22O3/c1-11-7-6-9-13(2,3)14(11,17)10-5-4-8-12(15)16/h4-5,8,10-11,17H,6-7,9H2,1-3H3,(H,15,16)/b8-4-,10-5+/t11-,14+/m0/s1
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PubMed
n/an/a 910n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant CYP707A3 in Arabidopsis


Bioorg Med Chem Lett 15: 5226-9 (2005)

More data for this
Ligand-Target Pair