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PubMed code 18608743

Compile data set for download or QSAR
Found 11 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
Cytochrome P450 26A1


(Homo sapiens (Human))		BDBM91705
PNG
(1H-1,2,4-triazole, 12)
Show SMILES N(c1nc2ccccc2o1)c1ccc(cc1)C(c1ccccc1)n1cnnc1
Show InChI InChI=1S/C22H17N5O/c1-2-6-16(7-3-1)21(27-14-23-24-15-27)17-10-12-18(13-11-17)25-22-26-19-8-4-5-9-20(19)28-22/h1-15,21H,(H,25,26)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Cardiff University



Assay Description
The imidazole derivatives were evaluated for their retinoic acid metabolism inhibitory activity using a MCF-7 cell assay, using radiolabelled all-tra...

J Enzyme Inhib Med Chem 24: 487-98 (2009)


Article DOI: 10.1080/14756360802218334
BindingDB Entry DOI: 10.7270/Q2CR5RZ5
More data for this
Ligand-Target Pair
Cytochrome P450 26A1


(Homo sapiens (Human))		BDBM91698
PNG
(Oxazolamine derivative, 5a)
Show SMILES Fc1ccc(cc1)C(c1ccc(Nc2nc3ccccc3o2)cc1)n1ccnc1
Show InChI InChI=1S/C23H17FN4O/c24-18-9-5-16(6-10-18)22(28-14-13-25-15-28)17-7-11-19(12-8-17)26-23-27-20-3-1-2-4-21(20)29-23/h1-15,22H,(H,26,27)
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n/an/an/an/a 3.50E+4n/an/an/an/a



Cardiff University



Assay Description
The imidazole derivatives were evaluated for their retinoic acid metabolism inhibitory activity using a MCF-7 cell assay, using radiolabelled all-tra...

J Enzyme Inhib Med Chem 24: 487-98 (2009)


Article DOI: 10.1080/14756360802218334
BindingDB Entry DOI: 10.7270/Q2CR5RZ5
More data for this
Ligand-Target Pair
Cytochrome P450 26A1


(Homo sapiens (Human))		BDBM91700
PNG
(Oxazolamine derivative, 5c)
Show SMILES COC(=O)c1ccc(cc1)C(c1ccc(Nc2nc3ccccc3o2)cc1)n1ccnc1
Show InChI InChI=1S/C25H20N4O3/c1-31-24(30)19-8-6-17(7-9-19)23(29-15-14-26-16-29)18-10-12-20(13-11-18)27-25-28-21-4-2-3-5-22(21)32-25/h2-16,23H,1H3,(H,27,28)
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n/an/an/an/a 2.00E+4n/an/an/an/a



Cardiff University



Assay Description
The imidazole derivatives were evaluated for their retinoic acid metabolism inhibitory activity using a MCF-7 cell assay, using radiolabelled all-tra...

J Enzyme Inhib Med Chem 24: 487-98 (2009)


Article DOI: 10.1080/14756360802218334
BindingDB Entry DOI: 10.7270/Q2CR5RZ5
More data for this
Ligand-Target Pair
Cytochrome P450 26A1


(Homo sapiens (Human))		BDBM91704
PNG
(1H-1,2,4-triazole, 11)
Show SMILES N(c1nc2ccccc2o1)c1ccc(cc1)C(c1ccccc1)n1cncn1
Show InChI InChI=1S/C22H17N5O/c1-2-6-16(7-3-1)21(27-15-23-14-24-27)17-10-12-18(13-11-17)25-22-26-19-8-4-5-9-20(19)28-22/h1-15,21H,(H,25,26)
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n/an/an/an/a 1.80E+4n/an/an/an/a



Cardiff University



Assay Description
The imidazole derivatives were evaluated for their retinoic acid metabolism inhibitory activity using a MCF-7 cell assay, using radiolabelled all-tra...

J Enzyme Inhib Med Chem 24: 487-98 (2009)


Article DOI: 10.1080/14756360802218334
BindingDB Entry DOI: 10.7270/Q2CR5RZ5
More data for this
Ligand-Target Pair
Cytochrome P450 26A1


(Homo sapiens (Human))		BDBM91702
PNG
(Oxazolamine derivative, 5e)
Show SMILES COc1ccc(cc1)C(c1ccc(Nc2nc3ccccc3o2)cc1)n1ccnc1
Show InChI InChI=1S/C24H20N4O2/c1-29-20-12-8-18(9-13-20)23(28-15-14-25-16-28)17-6-10-19(11-7-17)26-24-27-21-4-2-3-5-22(21)30-24/h2-16,23H,1H3,(H,26,27)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Cardiff University



Assay Description
The imidazole derivatives were evaluated for their retinoic acid metabolism inhibitory activity using a MCF-7 cell assay, using radiolabelled all-tra...

J Enzyme Inhib Med Chem 24: 487-98 (2009)


Article DOI: 10.1080/14756360802218334
BindingDB Entry DOI: 10.7270/Q2CR5RZ5
More data for this
Ligand-Target Pair
Cytochrome P450 26A1


(Homo sapiens (Human))		BDBM50176808
PNG
(5-[(3-Chloro-phenyl)-imidazol-1-yl-methyl]-1H-benz...)
Show SMILES Clc1cccc(c1)C(c1ccc2nc[nH]c2c1)n1ccnc1
Show InChI InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
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n/an/an/an/a 7.00E+3n/an/an/an/a



Cardiff University



Assay Description
The imidazole derivatives were evaluated for their retinoic acid metabolism inhibitory activity using a MCF-7 cell assay, using radiolabelled all-tra...

J Enzyme Inhib Med Chem 24: 487-98 (2009)


Article DOI: 10.1080/14756360802218334
BindingDB Entry DOI: 10.7270/Q2CR5RZ5
More data for this
Ligand-Target Pair
Cytochrome P450 26A1


(Homo sapiens (Human))		BDBM91703
PNG
(Oxazolamine derivative, 5f)
Show SMILES Oc1ccc(cc1)C(c1ccc(Nc2nc3ccccc3o2)cc1)n1ccnc1
Show InChI InChI=1S/C23H18N4O2/c28-19-11-7-17(8-12-19)22(27-14-13-24-15-27)16-5-9-18(10-6-16)25-23-26-20-3-1-2-4-21(20)29-23/h1-15,22,28H,(H,25,26)
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n/an/an/an/a 1.20E+4n/an/an/an/a



Cardiff University



Assay Description
The imidazole derivatives were evaluated for their retinoic acid metabolism inhibitory activity using a MCF-7 cell assay, using radiolabelled all-tra...

J Enzyme Inhib Med Chem 24: 487-98 (2009)


Article DOI: 10.1080/14756360802218334
BindingDB Entry DOI: 10.7270/Q2CR5RZ5
More data for this
Ligand-Target Pair
Cytochrome P450 26A1


(Homo sapiens (Human))		BDBM50253810
PNG
(CHEMBL459505 | N-(4-(2-ethyl-1-(1H-1,2,4-triazol-1...)
Show SMILES CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1
Show InChI InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)
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n/an/an/an/a 5n/an/an/an/a



Cardiff University



Assay Description
The imidazole derivatives were evaluated for their retinoic acid metabolism inhibitory activity using a MCF-7 cell assay, using radiolabelled all-tra...

J Enzyme Inhib Med Chem 24: 487-98 (2009)


Article DOI: 10.1080/14756360802218334
BindingDB Entry DOI: 10.7270/Q2CR5RZ5
More data for this
Ligand-Target Pair
Cytochrome P450 26A1


(Homo sapiens (Human))		BDBM91699
PNG
(Oxazolamine derivative, 5b)
Show SMILES Cc1ccc(cc1)C(c1ccc(Nc2nc3ccccc3o2)cc1)n1ccnc1
Show InChI InChI=1S/C24H20N4O/c1-17-6-8-18(9-7-17)23(28-15-14-25-16-28)19-10-12-20(13-11-19)26-24-27-21-4-2-3-5-22(21)29-24/h2-16,23H,1H3,(H,26,27)
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n/an/an/an/a 9.00E+3n/an/an/an/a



Cardiff University



Assay Description
The imidazole derivatives were evaluated for their retinoic acid metabolism inhibitory activity using a MCF-7 cell assay, using radiolabelled all-tra...

J Enzyme Inhib Med Chem 24: 487-98 (2009)


Article DOI: 10.1080/14756360802218334
BindingDB Entry DOI: 10.7270/Q2CR5RZ5
More data for this
Ligand-Target Pair
Cytochrome P450 26A1


(Homo sapiens (Human))		BDBM91701
PNG
(Oxazolamine derivative, 5d)
Show SMILES OC(=O)c1ccc(cc1)C(c1ccc(Nc2nc3ccccc3o2)cc1)n1ccnc1
Show InChI InChI=1S/C24H18N4O3/c29-23(30)18-7-5-16(6-8-18)22(28-14-13-25-15-28)17-9-11-19(12-10-17)26-24-27-20-3-1-2-4-21(20)31-24/h1-15,22H,(H,26,27)(H,29,30)
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n/an/an/an/a 5.00E+4n/an/an/an/a



Cardiff University



Assay Description
The imidazole derivatives were evaluated for their retinoic acid metabolism inhibitory activity using a MCF-7 cell assay, using radiolabelled all-tra...

J Enzyme Inhib Med Chem 24: 487-98 (2009)


Article DOI: 10.1080/14756360802218334
BindingDB Entry DOI: 10.7270/Q2CR5RZ5
More data for this
Ligand-Target Pair
Cytochrome P450 26A1


(Homo sapiens (Human))		BDBM91706
PNG
(1H-tetrazole, 13)
Show SMILES N(c1nc2ccccc2o1)c1ccc(cc1)C(c1ccccc1)n1cnnn1
Show InChI InChI=1S/C21H16N6O/c1-2-6-15(7-3-1)20(27-14-22-25-26-27)16-10-12-17(13-11-16)23-21-24-18-8-4-5-9-19(18)28-21/h1-14,20H,(H,23,24)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Cardiff University



Assay Description
The imidazole derivatives were evaluated for their retinoic acid metabolism inhibitory activity using a MCF-7 cell assay, using radiolabelled all-tra...

J Enzyme Inhib Med Chem 24: 487-98 (2009)


Article DOI: 10.1080/14756360802218334
BindingDB Entry DOI: 10.7270/Q2CR5RZ5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%