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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Sterol 26-hydroxylase, mitochondrial'   
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 (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 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
Sterol 26-hydroxylase, mitochondrial


(Homo sapiens (Human))		BDBM50556038
PNG
(CHEMBL389014)
Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCS(=N)(=O)c1ccccc1 |r|
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP27A1 (unknown origin) expressed in Chinese hamster V79 cells using 1alpha-(OH)D3 as substrate measured after 24 hrs by HPLC analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00960
BindingDB Entry DOI: 10.7270/Q29W0K46
More data for this
Ligand-Target Pair
Sterol 26-hydroxylase, mitochondrial


(Homo sapiens (Human))		BDBM50214607
PNG
(CHEMBL541423 | MK-24 | MK-24(S)-S(O)(NH)Ph)
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)C1=CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |t:14|
Show InChI InChI=1S/C29H39NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-13,17,20,24,27-28,31-32H,2,7-8,14-16,18-19H2,1,3H3,(H2,30,33)/b22-11+,23-12-/t20-,24-,27?,28+,29-,34?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of CYP27A1

Bioorg Med Chem 15: 5047-60 (2007)


Article DOI: 10.1016/j.bmc.2007.05.046
BindingDB Entry DOI: 10.7270/Q20R9Q7F
More data for this
Ligand-Target Pair
Sterol 26-hydroxylase, mitochondrial


(Homo sapiens (Human))		BDBM50370925
PNG
(CHEMBL1627233)
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|
Show InChI InChI=1S/C29H41NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,17,20,24,26-28,31-32H,2,7-8,13-16,18-19H2,1,3H3,(H2,30,33)/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-,34?/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human CYP27A1 hydroxylase expressed in V79 cells

J Med Chem 47: 6854-63 (2004)


Article DOI: 10.1021/jm040129+
BindingDB Entry DOI: 10.7270/Q2ZW1MRZ
More data for this
Ligand-Target Pair
Sterol 26-hydroxylase, mitochondrial


(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 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
Sterol 26-hydroxylase, mitochondrial


(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 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 (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 5.69E+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 (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 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