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Compile Data Set for Download or QSAR

Found 222 hits Enz. Inhib. hit(s) with Target = 'Cytochrome CYP26A1' AND taxid = 9606   
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 CYP26A1


(Homo sapiens (Human))
BDBM50353578
PNG
(CHEMBL1831092)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1cncn1
Show InChI InChI=1S/C24H24N4O2/c1-24(2,23(29)30-3)22(28-16-25-15-26-28)18-9-11-20(12-10-18)27-21-13-8-17-6-4-5-7-19(17)14-21/h4-16,22,27H,1-3H3
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n/an/a 0.300n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26 in human liver microsomes


J Med Chem 54: 6803-11 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50353582
PNG
(CHEMBL1831083)
Show SMILES CCOC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1
Show InChI InChI=1S/C26H27N3O2/c1-4-31-25(30)26(2,3)24(29-16-15-27-18-29)20-10-12-22(13-11-20)28-23-14-9-19-7-5-6-8-21(19)17-23/h5-18,24,28H,4H2,1-3H3
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n/an/a 0.350n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP26A1 assessed using [11,12-3H]ATRA as substrate by scintillation counting


J Med Chem 54: 6803-11 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50353578
PNG
(CHEMBL1831092)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1cncn1
Show InChI InChI=1S/C24H24N4O2/c1-24(2,23(29)30-3)22(28-16-25-15-26-28)18-9-11-20(12-10-18)27-21-13-8-17-6-4-5-7-19(17)14-21/h4-16,22,27H,1-3H3
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n/an/a 0.350n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP26A1 assessed using [11,12-3H]ATRA as substrate by scintillation counting


J Med Chem 54: 6803-11 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183224
PNG
(3-[6-(2-dimethylamino-1-imidazol-1-yl-butyl)-napht...)
Show SMILES CC[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C24H31N3O3/c1-6-21(26(4)5)22(27-12-11-25-16-27)19-8-7-18-14-20(10-9-17(18)13-19)30-15-24(2,3)23(28)29/h7-14,16,21-22H,6,15H2,1-5H3,(H,28,29)/t21-,22-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP26 expressed in human T47D cell line


Bioorg Med Chem Lett 16: 2729-33 (2006)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183243
PNG
(1-((6-((1R,2R)-2-(diethylamino)-1-(1H-imidazol-1-y...)
Show SMILES CCN(CC)[C@H](C)[C@@H](c1ccc2cc(OCC3(CCCC3)C(O)=O)ccc2c1)n1ccnc1
Show InChI InChI=1S/C27H35N3O3/c1-4-29(5-2)20(3)25(30-15-14-28-19-30)23-9-8-22-17-24(11-10-21(22)16-23)33-18-27(26(31)32)12-6-7-13-27/h8-11,14-17,19-20,25H,4-7,12-13,18H2,1-3H3,(H,31,32)/t20-,25+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP26 expressed in human T47D cell line


Bioorg Med Chem Lett 16: 2729-33 (2006)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183229
PNG
(1-((6-((1R,2R)-1-(1H-imidazol-1-yl)-2-(isopropyl(m...)
Show SMILES CC(C)N(C)[C@H](C)[C@@H](c1ccc2cc(OCC3(CCCC3)C(O)=O)ccc2c1)n1ccnc1
Show InChI InChI=1S/C27H35N3O3/c1-19(2)29(4)20(3)25(30-14-13-28-18-30)23-8-7-22-16-24(10-9-21(22)15-23)33-17-27(26(31)32)11-5-6-12-27/h7-10,13-16,18-20,25H,5-6,11-12,17H2,1-4H3,(H,31,32)/t20-,25+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP26 expressed in human T47D cell line


Bioorg Med Chem Lett 16: 2729-33 (2006)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50091698
PNG
((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C23H30N2O2/c1-17(7-6-8-18(2)15-22(26)27)9-10-20-19(3)21(11-12-23(20,4)5)25-14-13-24-16-25/h6-10,13-16,21H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,17-7+,18-15+
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n/an/a 2.40n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cell microsome assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342128
PNG
(3-Imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamin...)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1
Show InChI InChI=1S/C25H25N3O2/c1-25(2,24(29)30-3)23(28-15-14-26-17-28)19-9-11-21(12-10-19)27-22-13-8-18-6-4-5-7-20(18)16-22/h4-17,23,27H,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 (unknown origin)


Bioorg Med Chem 23: 6763-73 (2015)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342128
PNG
(3-Imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamin...)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1
Show InChI InChI=1S/C25H25N3O2/c1-25(2,24(29)30-3)23(28-15-14-26-17-28)19-9-11-21(12-10-19)27-22-13-8-18-6-4-5-7-20(18)16-22/h4-17,23,27H,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP26A1 assessed using [11,12-3H]ATRA as substrate by scintillation counting


J Med Chem 54: 6803-11 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342128
PNG
(3-Imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamin...)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1
Show InChI InChI=1S/C25H25N3O2/c1-25(2,24(29)30-3)23(28-15-14-26-17-28)19-9-11-21(12-10-19)27-22-13-8-18-6-4-5-7-20(18)16-22/h4-17,23,27H,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26 in human liver microsomes


J Med Chem 54: 6803-11 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342128
PNG
(3-Imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamin...)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1
Show InChI InChI=1S/C25H25N3O2/c1-25(2,24(29)30-3)23(28-15-14-26-17-28)19-9-11-21(12-10-19)27-22-13-8-18-6-4-5-7-20(18)16-22/h4-17,23,27H,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA after 1 hr by scintillation counting


J Med Chem 54: 2778-91 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342130
PNG
(3-[4-(6-Hydroxy-naphthalen-2-ylamino)-phenyl]-3-im...)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc3cc(O)ccc3c2)cc1)n1ccnc1
Show InChI InChI=1S/C25H25N3O3/c1-25(2,24(30)31-3)23(28-13-12-26-16-28)17-4-8-20(9-5-17)27-21-10-6-19-15-22(29)11-7-18(19)14-21/h4-16,23,27,29H,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA after 1 hr by scintillation counting


J Med Chem 54: 2778-91 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183237
PNG
(3-(6-((1R,2R)-1-(1H-imidazol-1-yl)-2-(isopropyl(me...)
Show SMILES CC(C)N(C)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
Show InChI InChI=1S/C25H33N3O3/c1-17(2)27(6)18(3)23(28-12-11-26-16-28)21-8-7-20-14-22(10-9-19(20)13-21)31-15-25(4,5)24(29)30/h7-14,16-18,23H,15H2,1-6H3,(H,29,30)/t18-,23+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP26 expressed in human T47D cell line


Bioorg Med Chem Lett 16: 2729-33 (2006)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162787
PNG
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES CC(C(c1ccc2cc(OCc3ccc(cc3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C26H27N3O3/c1-18(28(2)3)25(29-13-12-27-17-29)23-9-8-22-15-24(11-10-21(22)14-23)32-16-19-4-6-20(7-5-19)26(30)31/h4-15,17-18,25H,16H2,1-3H3,(H,30,31)
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n/an/a 3.30n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Potency towards cytochrome P 450 26 enzyme activity


Bioorg Med Chem Lett 15: 1669-73 (2005)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162776
PNG
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES CC(C(c1ccc2cc(OCc3cccc(c3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C26H27N3O3/c1-18(28(2)3)25(29-12-11-27-17-29)22-8-7-21-15-24(10-9-20(21)14-22)32-16-19-5-4-6-23(13-19)26(30)31/h4-15,17-18,25H,16H2,1-3H3,(H,30,31)
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n/an/a 3.5n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Potency towards cytochrome P 450 26 enzyme activity


Bioorg Med Chem Lett 15: 1669-73 (2005)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50377963
PNG
(CHEMBL224305 | R-115866)
Show SMILES CCC(CC)[C@H](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)/t20-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 (unknown origin)


Bioorg Med Chem 23: 6763-73 (2015)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183231
PNG
(1-((6-((1R,2R)-2-(ethyl(methyl)amino)-1-(1H-imidaz...)
Show SMILES CCN(C)[C@H](C)[C@@H](c1ccc2cc(OCC3(CCCC3)C(O)=O)ccc2c1)n1ccnc1
Show InChI InChI=1S/C26H33N3O3/c1-4-28(3)19(2)24(29-14-13-27-18-29)22-8-7-21-16-23(10-9-20(21)15-22)32-17-26(25(30)31)11-5-6-12-26/h7-10,13-16,18-19,24H,4-6,11-12,17H2,1-3H3,(H,30,31)/t19-,24+/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP26 expressed in human T47D cell line


Bioorg Med Chem Lett 16: 2729-33 (2006)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50377963
PNG
(CHEMBL224305 | R-115866)
Show SMILES CCC(CC)[C@H](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)/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)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183225
PNG
(3-(6-((1R,2R)-2-(diethylamino)-1-(1H-imidazol-1-yl...)
Show SMILES CCN(CC)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
Show InChI InChI=1S/C25H33N3O3/c1-6-27(7-2)18(3)23(28-13-12-26-17-28)21-9-8-20-15-22(11-10-19(20)14-21)31-16-25(4,5)24(29)30/h8-15,17-18,23H,6-7,16H2,1-5H3,(H,29,30)/t18-,23+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP26 expressed in human T47D cell line


Bioorg Med Chem Lett 16: 2729-33 (2006)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(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/a 5.10n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158410
PNG
(4-((+/-)-(1H-imidazol-1-yl)-N-(imidazolyl)-(E)-ret...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(=O)n1ccnc1
Show InChI InChI=1S/C26H32N4O/c1-20(7-6-8-21(2)17-25(31)30-16-14-28-19-30)9-10-23-22(3)24(11-12-26(23,4)5)29-15-13-27-18-29/h6-10,13-19,24H,11-12H2,1-5H3/b8-6+,10-9+,20-7+,21-17+
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n/an/a 5.20n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cell microsome assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50391726
PNG
(CHEMBL2146987)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc(Br)nc2)cc1)n1ccnc1
Show InChI InChI=1S/C20H21BrN4O2/c1-20(2,19(26)27-3)18(25-11-10-22-13-25)14-4-6-15(7-5-14)24-16-8-9-17(21)23-12-16/h4-13,18,24H,1-3H3
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n/an/a 5.70n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1-mediated retionic acid metabolism in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation countin...


Bioorg Med Chem 20: 6080-8 (2012)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162791
PNG
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES CC(C(c1ccc2cc(OCc3ccc(cc3)C#N)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C26H26N4O/c1-19(29(2)3)26(30-13-12-28-18-30)24-9-8-23-15-25(11-10-22(23)14-24)31-17-21-6-4-20(16-27)5-7-21/h4-15,18-19,26H,17H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Potency towards cytochrome P 450 26 enzyme activity


Bioorg Med Chem Lett 15: 1669-73 (2005)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342143
PNG
(3-Imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-1-yl...)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2cccc3ccccc23)cc1)n1ccnc1
Show InChI InChI=1S/C25H25N3O2/c1-25(2,24(29)30-3)23(28-16-15-26-17-28)19-11-13-20(14-12-19)27-22-10-6-8-18-7-4-5-9-21(18)22/h4-17,23,27H,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA after 1 hr by scintillation counting


J Med Chem 54: 2778-91 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50091698
PNG
((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C23H30N2O2/c1-17(7-6-8-18(2)15-22(26)27)9-10-20-19(3)21(11-12-23(20,4)5)25-14-13-24-16-25/h6-10,13-16,21H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,17-7+,18-15+
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n/an/a 6.30n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cells assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162776
PNG
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES CC(C(c1ccc2cc(OCc3cccc(c3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C26H27N3O3/c1-18(28(2)3)25(29-12-11-27-17-29)22-8-7-21-15-24(10-9-20(21)14-22)32-16-19-5-4-6-23(13-19)26(30)31/h4-15,17-18,25H,16H2,1-3H3,(H,30,31)
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n/an/a 6.30n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Potency towards cytochrome P 450 26 enzyme activity


Bioorg Med Chem Lett 15: 1669-73 (2005)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50391728
PNG
(CHEMBL2147090)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc3OCOc3c2)cc1)n1cncn1
Show InChI InChI=1S/C21H22N4O4/c1-21(2,20(26)27-3)19(25-12-22-11-23-25)14-4-6-15(7-5-14)24-16-8-9-17-18(10-16)29-13-28-17/h4-12,19,24H,13H2,1-3H3
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n/an/a 6.70n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1-mediated retionic acid metabolism in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation countin...


Bioorg Med Chem 20: 6080-8 (2012)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162788
PNG
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES COC(=O)c1cccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)c1
Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)26(30-13-12-28-18-30)23-9-8-22-16-25(11-10-21(22)15-23)33-17-20-6-5-7-24(14-20)27(31)32-4/h5-16,18-19,26H,17H2,1-4H3
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n/an/a 7n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Potency towards cytochrome P 450 26 enzyme activity


Bioorg Med Chem Lett 15: 1669-73 (2005)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183228
PNG
(1-((6-((1R,2R)-2-(dimethylamino)-1-(1H-imidazol-1-...)
Show SMILES C[C@H]([C@@H](c1ccc2cc(OCC3(CCCC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C25H31N3O3/c1-18(27(2)3)23(28-13-12-26-17-28)21-7-6-20-15-22(9-8-19(20)14-21)31-16-25(24(29)30)10-4-5-11-25/h6-9,12-15,17-18,23H,4-5,10-11,16H2,1-3H3,(H,29,30)/t18-,23+/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP26 expressed in human T47D cell line


Bioorg Med Chem Lett 16: 2729-33 (2006)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342141
PNG
(3-[4-(Benzo[1,3]dioxol-5-ylamino)-phenyl]-3-imidaz...)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc3OCOc3c2)cc1)n1ccnc1
Show InChI InChI=1S/C22H23N3O4/c1-22(2,21(26)27-3)20(25-11-10-23-13-25)15-4-6-16(7-5-15)24-17-8-9-18-19(12-17)29-14-28-18/h4-13,20,24H,14H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1-mediated retionic acid metabolism in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation countin...


Bioorg Med Chem 20: 6080-8 (2012)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162782
PNG
(CHEMBL179550 | {4-[6-(2-Dimethylamino-1-imidazol-1...)
Show SMILES CC(C(c1ccc2cc(OCc3ccc(OCC(O)=O)cc3)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C27H29N3O4/c1-19(29(2)3)27(30-13-12-28-18-30)23-7-6-22-15-25(11-8-21(22)14-23)33-16-20-4-9-24(10-5-20)34-17-26(31)32/h4-15,18-19,27H,16-17H2,1-3H3,(H,31,32)
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n/an/a 8n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Potency towards cytochrome P 450 26 enzyme activity


Bioorg Med Chem Lett 15: 1669-73 (2005)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342141
PNG
(3-[4-(Benzo[1,3]dioxol-5-ylamino)-phenyl]-3-imidaz...)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc3OCOc3c2)cc1)n1ccnc1
Show InChI InChI=1S/C22H23N3O4/c1-22(2,21(26)27-3)20(25-11-10-23-13-25)15-4-6-16(7-5-15)24-17-8-9-18-19(12-17)29-14-28-18/h4-13,20,24H,14H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA after 1 hr by scintillation counting


J Med Chem 54: 2778-91 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342129
PNG
(3-Imidazol-1-yl-3-[4-(6-methoxy-naphthalen-2-ylami...)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc3cc(OC)ccc3c2)cc1)n1ccnc1
Show InChI InChI=1S/C26H27N3O3/c1-26(2,25(30)32-4)24(29-14-13-27-17-29)18-5-9-21(10-6-18)28-22-11-7-20-16-23(31-3)12-8-19(20)15-22/h5-17,24,28H,1-4H3
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n/an/a 8n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA after 1 hr by scintillation counting


J Med Chem 54: 2778-91 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183241
PNG
(3-(6-((1R,2R)-2-(ethyl(methyl)amino)-1-(1H-imidazo...)
Show SMILES CCN(C)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
Show InChI InChI=1S/C24H31N3O3/c1-6-26(5)17(2)22(27-12-11-25-16-27)20-8-7-19-14-21(10-9-18(19)13-20)30-15-24(3,4)23(28)29/h7-14,16-17,22H,6,15H2,1-5H3,(H,28,29)/t17-,22+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP26 expressed in human T47D cell line


Bioorg Med Chem Lett 16: 2729-33 (2006)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50391722
PNG
(CHEMBL2146981)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc(cc2)C(F)(F)F)cc1)n1ccnc1
Show InChI InChI=1S/C22H22F3N3O2/c1-21(2,20(29)30-3)19(28-13-12-26-14-28)15-4-8-17(9-5-15)27-18-10-6-16(7-11-18)22(23,24)25/h4-14,19,27H,1-3H3
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n/an/a 9.40n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1-mediated retionic acid metabolism in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation countin...


Bioorg Med Chem 20: 6080-8 (2012)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342131
PNG
(3-[4-(Benzooxazol-2-ylamino)-phenyl]-3-imidazol-1-...)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2nc3ccccc3o2)cc1)n1ccnc1
Show InChI InChI=1S/C22H22N4O3/c1-22(2,20(27)28-3)19(26-13-12-23-14-26)15-8-10-16(11-9-15)24-21-25-17-6-4-5-7-18(17)29-21/h4-14,19H,1-3H3,(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA after 1 hr by scintillation counting


J Med Chem 54: 2778-91 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342133
PNG
(Benzothiazol-2-yl-[4-((1S,2S)-2-dimethylamino-1-im...)
Show SMILES C[C@H]([C@@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1ccnc1)N(C)C
Show InChI InChI=1S/C21H23N5S/c1-15(25(2)3)20(26-13-12-22-14-26)16-8-10-17(11-9-16)23-21-24-18-6-4-5-7-19(18)27-21/h4-15,20H,1-3H3,(H,23,24)/t15-,20+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA after 1 hr by scintillation counting


J Med Chem 54: 2778-91 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342140
PNG
(3-Imidazol-1-yl-2,2-dimethyl-3-(4-phenylaminopheny...)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1
Show InChI InChI=1S/C21H23N3O2/c1-21(2,20(25)26-3)19(24-14-13-22-15-24)16-9-11-18(12-10-16)23-17-7-5-4-6-8-17/h4-15,19,23H,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA after 1 hr by scintillation counting


J Med Chem 54: 2778-91 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342133
PNG
(Benzothiazol-2-yl-[4-((1S,2S)-2-dimethylamino-1-im...)
Show SMILES C[C@H]([C@@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1ccnc1)N(C)C
Show InChI InChI=1S/C21H23N5S/c1-15(25(2)3)20(26-13-12-22-14-26)16-8-10-17(11-9-16)23-21-24-18-6-4-5-7-19(18)27-21/h4-15,20H,1-3H3,(H,23,24)/t15-,20+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP26A1 assessed using [11,12-3H]ATRA as substrate by scintillation counting


J Med Chem 54: 6803-11 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50391719
PNG
(CHEMBL2147092)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccc3OCOc3c2)cc1)n1ccnc1C
Show InChI InChI=1S/C23H25N3O4/c1-15-24-11-12-26(15)21(23(2,3)22(27)28-4)16-5-7-17(8-6-16)25-18-9-10-19-20(13-18)30-14-29-19/h5-13,21,25H,14H2,1-4H3
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n/an/a>10n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1-mediated retionic acid metabolism in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation countin...


Bioorg Med Chem 20: 6080-8 (2012)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50120455
PNG
(CHEMBL3617993)
Show SMILES CC(C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1)N(C)C
Show InChI InChI=1/C20H22N6S/c1-14(25(2)3)19(26-13-21-12-22-26)15-8-10-16(11-9-15)23-20-24-17-6-4-5-7-18(17)27-20/h4-14,19H,1-3H3,(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 (unknown origin)


Bioorg Med Chem 23: 6763-73 (2015)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158410
PNG
(4-((+/-)-(1H-imidazol-1-yl)-N-(imidazolyl)-(E)-ret...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(=O)n1ccnc1
Show InChI InChI=1S/C26H32N4O/c1-20(7-6-8-21(2)17-25(31)30-16-14-28-19-30)9-10-23-22(3)24(11-12-26(23,4)5)29-15-13-27-18-29/h6-10,13-19,24H,11-12H2,1-5H3/b8-6+,10-9+,20-7+,21-17+
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n/an/a 10n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cells assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342133
PNG
(Benzothiazol-2-yl-[4-((1S,2S)-2-dimethylamino-1-im...)
Show SMILES C[C@H]([C@@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1ccnc1)N(C)C
Show InChI InChI=1S/C21H23N5S/c1-15(25(2)3)20(26-13-12-22-14-26)16-8-10-17(11-9-16)23-21-24-18-6-4-5-7-19(18)27-21/h4-15,20H,1-3H3,(H,23,24)/t15-,20+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26 in human liver microsomes


J Med Chem 54: 6803-11 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50342140
PNG
(3-Imidazol-1-yl-2,2-dimethyl-3-(4-phenylaminopheny...)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1
Show InChI InChI=1S/C21H23N3O2/c1-21(2,20(25)26-3)19(24-14-13-22-15-24)16-9-11-18(12-10-16)23-17-7-5-4-6-8-17/h4-15,19,23H,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1-mediated retionic acid metabolism in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation countin...


Bioorg Med Chem 20: 6080-8 (2012)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50091698
PNG
((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C23H30N2O2/c1-17(7-6-8-18(2)15-22(26)27)9-10-20-19(3)21(11-12-23(20,4)5)25-14-13-24-16-25/h6-10,13-16,21H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,17-7+,18-15+
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n/an/a 10.9n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human MCF7 cells assessed ATRA as metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183230
PNG
(1-((6-((1R,2R)-2-(dimethylamino)-1-(1H-imidazol-1-...)
Show SMILES C[C@H]([C@@H](c1ccc2cc(OCC3(CCCCC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C26H33N3O3/c1-19(28(2)3)24(29-14-13-27-18-29)22-8-7-21-16-23(10-9-20(21)15-22)32-17-26(25(30)31)11-5-4-6-12-26/h7-10,13-16,18-19,24H,4-6,11-12,17H2,1-3H3,(H,30,31)/t19-,24+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP26 expressed in human T47D cell line


Bioorg Med Chem Lett 16: 2729-33 (2006)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162787
PNG
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES CC(C(c1ccc2cc(OCc3ccc(cc3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C26H27N3O3/c1-18(28(2)3)25(29-13-12-27-17-29)23-9-8-22-15-24(11-10-21(22)14-23)32-16-19-4-6-20(7-5-19)26(30)31/h4-15,17-18,25H,16H2,1-3H3,(H,30,31)
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n/an/a 12n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Potency towards cytochrome P 450 26 enzyme activity


Bioorg Med Chem Lett 15: 1669-73 (2005)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50353574
PNG
(CHEMBL1831088)
Show SMILES CNC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1
Show InChI InChI=1S/C25H26N4O/c1-25(2,24(30)26-3)23(29-15-14-27-17-29)19-9-11-21(12-10-19)28-22-13-8-18-6-4-5-7-20(18)16-22/h4-17,23,28H,1-3H3,(H,26,30)
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n/an/a 12n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP26A1 assessed using [11,12-3H]ATRA as substrate by scintillation counting


J Med Chem 54: 6803-11 (2011)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50401154
PNG
(CHEMBL2205775)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1
Show InChI InChI=1S/C20H22N4O2/c1-20(2,19(25)26-3)18(24-14-21-13-22-24)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,18,23H,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation counter analysis


Bioorg Med Chem 20: 4201-7 (2012)

More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50391724
PNG
(CHEMBL2146986)
Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2cc(C)c(OC)c(C)c2)cc1)n1ccnc1
Show InChI InChI=1S/C24H29N3O3/c1-16-13-20(14-17(2)21(16)29-5)26-19-9-7-18(8-10-19)22(27-12-11-25-15-27)24(3,4)23(28)30-6/h7-15,22,26H,1-6H3
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n/an/a 14n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1-mediated retionic acid metabolism in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation countin...


Bioorg Med Chem 20: 6080-8 (2012)

More data for this
Ligand-Target Pair
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