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PubMed code 20655626

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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
Sterol 26-hydroxylase, mitochondrial


(Homo sapiens)
BDBM50326835
PNG
(2-(2-Bromobenzyl)-6-methoxy-tetralone | CHEMBL1253...)
Show SMILES COc1ccc2C(=O)C(Cc3ccccc3Br)CCc2c1
Show InChI InChI=1S/C18H17BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-9,11,14H,6-7,10H2,1H3
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n/an/a 59n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP27A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 520n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50155480
PNG
(6-Methoxy-2-(2-methyl-benzyl)-3,4-dihydro-2H-napht...)
Show SMILES COc1ccc2C(=O)C(Cc3ccccc3C)CCc2c1
Show InChI InChI=1S/C19H20O2/c1-13-5-3-4-6-14(13)11-16-8-7-15-12-17(21-2)9-10-18(15)19(16)20/h3-6,9-10,12,16H,7-8,11H2,1-2H3
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n/an/a 900n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50326834
PNG
(2-(2-Ethylbenzyl)-6-methoxy-tetralone | CHEMBL1253...)
Show SMILES CCc1ccccc1CC1CCc2cc(OC)ccc2C1=O
Show InChI InChI=1S/C20H22O2/c1-3-14-6-4-5-7-15(14)12-17-9-8-16-13-18(22-2)10-11-19(16)20(17)21/h4-7,10-11,13,17H,3,8-9,12H2,1-2H3
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n/an/a 1.92E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50326833
PNG
(2-(2-Trifluoromethylbenzyl)-6-methoxy-tetralone | ...)
Show SMILES COc1ccc2C(=O)C(Cc3ccccc3C(F)(F)F)CCc2c1
Show InChI InChI=1S/C19H17F3O2/c1-24-15-8-9-16-12(11-15)6-7-14(18(16)23)10-13-4-2-3-5-17(13)19(20,21)22/h2-5,8-9,11,14H,6-7,10H2,1H3
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n/an/a 2.08E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155470
PNG
(2-biphenyl-2-ylmethyl-6-hydroxy-3,4-dihydro-2H-nap...)
Show SMILES Oc1ccc2C(=O)C(Cc3ccccc3-c3ccccc3)CCc2c1
Show InChI InChI=1S/C23H20O2/c24-20-12-13-22-18(15-20)10-11-19(23(22)25)14-17-8-4-5-9-21(17)16-6-2-1-3-7-16/h1-9,12-13,15,19,24H,10-11,14H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 in rat kidney mitochondria


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Sterol 26-hydroxylase, mitochondrial


(Homo sapiens)
BDBM50155468
PNG
(2-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-6-methoxy-...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1Br
Show InChI InChI=1S/C18H15BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-11H,6-7H2,1H3/b14-10+
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n/an/a 4.33E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP27A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50326832
PNG
((E)-2-(2-(E)-Styrylbenzylidene)-6-methoxy-tetralon...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1\C=C\c1ccccc1
Show InChI InChI=1S/C26H22O2/c1-28-24-15-16-25-22(18-24)13-14-23(26(25)27)17-21-10-6-5-9-20(21)12-11-19-7-3-2-4-8-19/h2-12,15-18H,13-14H2,1H3/b12-11+,23-17+
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n/an/a 5.08E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Sterol 26-hydroxylase, mitochondrial


(Homo sapiens)
BDBM50326833
PNG
(2-(2-Trifluoromethylbenzyl)-6-methoxy-tetralone | ...)
Show SMILES COc1ccc2C(=O)C(Cc3ccccc3C(F)(F)F)CCc2c1
Show InChI InChI=1S/C19H17F3O2/c1-24-15-8-9-16-12(11-15)6-7-14(18(16)23)10-13-4-2-3-5-17(13)19(20,21)22/h2-5,8-9,11,14H,6-7,10H2,1H3
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n/an/a 5.34E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP27A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Sterol 26-hydroxylase, mitochondrial


(Homo sapiens)
BDBM50326832
PNG
((E)-2-(2-(E)-Styrylbenzylidene)-6-methoxy-tetralon...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1\C=C\c1ccccc1
Show InChI InChI=1S/C26H22O2/c1-28-24-15-16-25-22(18-24)13-14-23(26(25)27)17-21-10-6-5-9-20(21)12-11-19-7-3-2-4-8-19/h2-12,15-18H,13-14H2,1H3/b12-11+,23-17+
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n/an/a 5.69E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP27A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Sterol 26-hydroxylase, mitochondrial


(Homo sapiens)
BDBM50326834
PNG
(2-(2-Ethylbenzyl)-6-methoxy-tetralone | CHEMBL1253...)
Show SMILES CCc1ccccc1CC1CCc2cc(OC)ccc2C1=O
Show InChI InChI=1S/C20H22O2/c1-3-14-6-4-5-7-15(14)12-17-9-8-16-13-18(22-2)10-11-19(16)20(17)21/h4-7,10-11,13,17H,3,8-9,12H2,1-2H3
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n/an/a 8.23E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP27A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50326837
PNG
((E)-2-(2-Ethylbenzylidene)-6-methoxy-tetralone | C...)
Show SMILES CCc1ccccc1\C=C1/CCc2cc(OC)ccc2C1=O
Show InChI InChI=1S/C20H20O2/c1-3-14-6-4-5-7-15(14)12-17-9-8-16-13-18(22-2)10-11-19(16)20(17)21/h4-7,10-13H,3,8-9H2,1-2H3/b17-12+
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n/an/a 1.08E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50326836
PNG
((E)-2-(2-Trifluoromethylbenzylidene)-6-methoxy-tet...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H15F3O2/c1-24-15-8-9-16-12(11-15)6-7-14(18(16)23)10-13-4-2-3-5-17(13)19(20,21)22/h2-5,8-11H,6-7H2,1H3/b14-10+
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n/an/a 1.12E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50326835
PNG
(2-(2-Bromobenzyl)-6-methoxy-tetralone | CHEMBL1253...)
Show SMILES COc1ccc2C(=O)C(Cc3ccccc3Br)CCc2c1
Show InChI InChI=1S/C18H17BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-9,11,14H,6-7,10H2,1H3
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n/an/a 1.63E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 in rat kidney mitochondria


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50326841
PNG
(2-(2-Phenethylbenzyl)-6-methoxy-tetralone | CHEMBL...)
Show SMILES COc1ccc2C(=O)C(Cc3ccccc3CCc3ccccc3)CCc2c1
Show InChI InChI=1S/C26H26O2/c1-28-24-15-16-25-22(18-24)13-14-23(26(25)27)17-21-10-6-5-9-20(21)12-11-19-7-3-2-4-8-19/h2-10,15-16,18,23H,11-14,17H2,1H3
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n/an/a 2.56E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50326838
PNG
((E)-2-(biphenyl-2-ylmethylene)-6-methoxy-3,4-dihyd...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1-c1ccccc1
Show InChI InChI=1S/C24H20O2/c1-26-21-13-14-23-19(16-21)11-12-20(24(23)25)15-18-9-5-6-10-22(18)17-7-3-2-4-8-17/h2-10,13-16H,11-12H2,1H3/b20-15+
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n/an/a 1.11E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50155468
PNG
(2-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-6-methoxy-...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1Br
Show InChI InChI=1S/C18H15BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-11H,6-7H2,1H3/b14-10+
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n/an/a 1.22E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50326839
PNG
(2-(biphenyl-2-ylmethyl)-6-methoxy-3,4-dihydronapht...)
Show SMILES COc1ccc2C(=O)C(Cc3ccccc3-c3ccccc3)CCc2c1
Show InChI InChI=1S/C24H22O2/c1-26-21-13-14-23-19(16-21)11-12-20(24(23)25)15-18-9-5-6-10-22(18)17-7-3-2-4-8-17/h2-10,13-14,16,20H,11-12,15H2,1H3
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n/an/a 1.28E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50326840
PNG
(2-(2-(E)-Styrylbenzyl)-6-methoxy-tetralone | CHEMB...)
Show SMILES COc1ccc2C(=O)C(Cc3ccccc3\C=C\c3ccccc3)CCc2c1
Show InChI InChI=1S/C26H24O2/c1-28-24-15-16-25-22(18-24)13-14-23(26(25)27)17-21-10-6-5-9-20(21)12-11-19-7-3-2-4-8-19/h2-12,15-16,18,23H,13-14,17H2,1H3/b12-11+
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n/an/a 3.43E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50155472
PNG
(6-Methoxy-2-[1-o-tolyl-meth-(E)-ylidene]-3,4-dihyd...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1C
Show InChI InChI=1S/C19H18O2/c1-13-5-3-4-6-14(13)11-16-8-7-15-12-17(21-2)9-10-18(15)19(16)20/h3-6,9-12H,7-8H2,1-2H3/b16-11+
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Article
PubMed
n/an/a 4.80E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 expressed in CHO cells


Eur J Med Chem 45: 4427-34 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.001
BindingDB Entry DOI: 10.7270/Q2ZW1M4W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%