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PubMed code 18722776

Compile data set for download or QSAR
Found 15 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 CYP26A1


(Homo sapiens (Human))
BDBM50377963
PNG
(CHEMBL224305 | R-115866)
Show SMILES CCC(CC)[C@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1 |r|
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)/t20-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50253770
PNG
(CHEMBL518482 | [4-(Imidazol-1-yl-phenyl-methyl)-ph...)
Show SMILES N(c1ccc(cc1)C(c1ccccc1)n1ccnc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H21N3/c1-2-7-21(8-3-1)26(29-17-16-27-19-29)22-11-13-24(14-12-22)28-25-15-10-20-6-4-5-9-23(20)18-25/h1-19,26,28H
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n/an/a 500n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50253808
PNG
(Benzooxazol-2-yl-{4-[(5H-imidazol-1-yl)-phenyl-met...)
Show SMILES N(c1nc2ccccc2o1)c1ccc(cc1)C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C23H18N4O/c1-2-6-17(7-3-1)22(27-15-14-24-16-27)18-10-12-19(13-11-18)25-23-26-20-8-4-5-9-21(20)28-23/h1-16,22H,(H,25,26)
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n/an/a 900n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50253771
PNG
(CHEMBL517904 | [4-(Imidazol-1-yl-phenyl-methyl)-ph...)
Show SMILES C1Cc2ccc(Nc3ccc(cc3)C(c3ccccc3)n3ccnc3)cc2C1
Show InChI InChI=1S/C25H23N3/c1-2-5-20(6-3-1)25(28-16-15-26-18-28)21-10-12-23(13-11-21)27-24-14-9-19-7-4-8-22(19)17-24/h1-3,5-6,9-18,25,27H,4,7-8H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50253809
PNG
(Benzothiazol-2-yl-{4-[(5H-imidazol-1-yl)-phenylmet...)
Show SMILES N(c1nc2ccccc2s1)c1ccc(cc1)C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C23H18N4S/c1-2-6-17(7-3-1)22(27-15-14-24-16-27)18-10-12-19(13-11-18)25-23-26-20-8-4-5-9-21(20)28-23/h1-16,22H,(H,25,26)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50253772
PNG
((1H-Benzoimidazol-2-yl)-{4-[(5H-imidazol-1-yl)-phe...)
Show SMILES N(c1nc2ccccc2[nH]1)c1ccc(cc1)C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C23H19N5/c1-2-6-17(7-3-1)22(28-15-14-24-16-28)18-10-12-19(13-11-18)25-23-26-20-8-4-5-9-21(20)27-23/h1-16,22H,(H2,25,26,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162773
PNG
(3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)propyl...)
Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C23H29N3O3/c1-16(25(4)5)21(26-11-10-24-15-26)19-7-6-18-13-20(9-8-17(18)12-19)29-14-23(2,3)22(27)28/h6-13,15-16,21H,14H2,1-5H3,(H,27,28)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50253849
PNG
(1-(benzofuran-2-yl(4-ethylphenyl)methyl)-1H-1,2,4-...)
Show SMILES CCc1ccc(cc1)C(c1cc2ccccc2o1)n1cncn1
Show InChI InChI=1S/C19H17N3O/c1-2-14-7-9-15(10-8-14)19(22-13-20-12-21-22)18-11-16-5-3-4-6-17(16)23-18/h3-13,19H,2H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50253768
PNG
(CHEMBL459925 | Phenyl-[4-(phenyl-imidazol-1-yl-met...)
Show SMILES N(c1ccccc1)c1ccc(cc1)C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H19N3/c1-3-7-18(8-4-1)22(25-16-15-23-17-25)19-11-13-21(14-12-19)24-20-9-5-2-6-10-20/h1-17,22,24H
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n/an/a 5.00E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50253710
PNG
(CHEMBL450523 | Phenyl-[4-(phenyl-[1,2,4]triazol-1-...)
Show SMILES N(c1ccccc1)c1ccc(cc1)C(c1ccccc1)n1cncn1
Show InChI InChI=1S/C21H18N4/c1-3-7-17(8-4-1)21(25-16-22-15-23-25)18-11-13-20(14-12-18)24-19-9-5-2-6-10-19/h1-16,21,24H
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n/an/a 5.00E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50253850
PNG
(1-(Benzofuran-2-yl-biphenyl-4-yl-methyl)-1H-[1,2,4...)
Show SMILES c1ncn(n1)C(c1cc2ccccc2o1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H17N3O/c1-2-6-17(7-3-1)18-10-12-19(13-11-18)23(26-16-24-15-25-26)22-14-20-8-4-5-9-21(20)27-22/h1-16,23H
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n/an/a 7.00E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(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/a 7.00E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50253769
PNG
(CHEMBL460130 | [4-(1-Imidazol-1-yl-ethyl)-phenyl]-...)
Show SMILES CC(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1
Show InChI InChI=1S/C21H19N3/c1-16(24-13-12-22-15-24)17-6-9-20(10-7-17)23-21-11-8-18-4-2-3-5-19(18)14-21/h2-16,23H,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50253711
PNG
(CHEMBL449460 | Phenyl-[4-(1-imidazol-1-yl-ethyl)-p...)
Show SMILES CC(c1ccc(Nc2ccccc2)cc1)n1ccnc1
Show InChI InChI=1S/C17H17N3/c1-14(20-12-11-18-13-20)15-7-9-17(10-8-15)19-16-5-3-2-4-6-16/h2-14,19H,1H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50253709
PNG
(CHEMBL461860 | Phenyl-[4-(1-[1,2,4]triazol-1-yl-et...)
Show SMILES CC(c1ccc(Nc2ccccc2)cc1)n1cncn1
Show InChI InChI=1S/C16H16N4/c1-13(20-12-17-11-18-20)14-7-9-16(10-8-14)19-15-5-3-2-4-6-15/h2-13,19H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cells


Bioorg Med Chem 16: 8301-13 (2008)


Article DOI: 10.1016/j.bmc.2007.06.048
BindingDB Entry DOI: 10.7270/Q2M61M5B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%