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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'keane' and Initial = 'd'   
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))
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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50162780
PNG
(CHEMBL180348 | {4-[6-(2-Dimethylamino-1-imidazol-1...)
Show SMILES CC(C(c1ccc2cc(OCc3ccc(CC(O)=O)cc3)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)27(30-13-12-28-18-30)24-9-8-23-16-25(11-10-22(23)15-24)33-17-21-6-4-20(5-7-21)14-26(31)32/h4-13,15-16,18-19,27H,14,17H2,1-3H3,(H,31,32)
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n/an/a 4n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity


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


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50162783
PNG
(CHEMBL179825 | {4-[6-(2-Dimethylamino-1-imidazol-1...)
Show SMILES COC(=O)Cc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1
Show InChI InChI=1S/C28H31N3O3/c1-20(30(2)3)28(31-14-13-29-19-31)25-10-9-24-17-26(12-11-23(24)16-25)34-18-22-7-5-21(6-8-22)15-27(32)33-4/h5-14,16-17,19-20,28H,15,18H2,1-4H3
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n/an/a 4n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity


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


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50162793
PNG
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES COC(=O)c1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1
Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)26(30-14-13-28-18-30)24-10-9-23-16-25(12-11-22(23)15-24)33-17-20-5-7-21(8-6-20)27(31)32-4/h5-16,18-19,26H,17H2,1-4H3
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n/an/a 10n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity


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


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162772
PNG
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES CC(C(c1ccc2cc(OCc3cccc(c3)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C28H32N4O2/c1-20(30(2)3)27(32-14-13-29-19-32)24-10-9-23-17-26(12-11-22(23)16-24)34-18-21-7-6-8-25(15-21)28(33)31(4)5/h6-17,19-20,27H,18H2,1-5H3
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n/an/a 14.4n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162793
PNG
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES COC(=O)c1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1
Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)26(30-14-13-28-18-30)24-10-9-23-16-25(12-11-22(23)15-24)33-17-20-5-7-21(8-6-20)27(31)32-4/h5-16,18-19,26H,17H2,1-4H3
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n/an/a 16n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
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 18n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162778
PNG
(CHEMBL362412 | {4-[6-(2-Dimethylamino-1-imidazol-1...)
Show SMILES COC(=O)COc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1
Show InChI InChI=1S/C28H31N3O4/c1-20(30(2)3)28(31-14-13-29-19-31)24-8-7-23-16-26(12-9-22(23)15-24)34-17-21-5-10-25(11-6-21)35-18-27(32)33-4/h5-16,19-20,28H,17-18H2,1-4H3
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n/an/a 19n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
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 20n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183226
PNG
(3-[6-(2-dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES C[C@H]([C@@H](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)/t16-,21+/m1/s1
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n/an/a 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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162777
PNG
(CHEMBL180805 | {2-[6-(2,2-Dimethyl-propoxy)-naphth...)
Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C23H31N3O/c1-17(25(5)6)22(26-12-11-24-16-26)20-8-7-19-14-21(10-9-18(19)13-20)27-15-23(2,3)4/h7-14,16-17,22H,15H2,1-6H3
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n/an/a 21.4n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162780
PNG
(CHEMBL180348 | {4-[6-(2-Dimethylamino-1-imidazol-1...)
Show SMILES CC(C(c1ccc2cc(OCc3ccc(CC(O)=O)cc3)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)27(30-13-12-28-18-30)24-9-8-23-16-25(11-10-22(23)15-24)33-17-21-6-4-20(5-7-21)14-26(31)32/h4-13,15-16,18-19,27H,14,17H2,1-3H3,(H,31,32)
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n/an/a 25n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183232
PNG
((R)-3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)-2...)
Show SMILES CN(C)C(C)(C)[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
Show InChI InChI=1S/C24H31N3O3/c1-23(2,22(28)29)15-30-20-10-9-17-13-19(8-7-18(17)14-20)21(24(3,4)26(5)6)27-12-11-25-16-27/h7-14,16,21H,15H2,1-6H3,(H,28,29)/t21-/m1/s1
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n/an/a 26n/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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183242
PNG
(3-(6-((1R,2R)-1-(1H-imidazol-1-yl)-2-morpholinopro...)
Show SMILES C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N1CCOCC1
Show InChI InChI=1S/C25H31N3O4/c1-18(27-10-12-31-13-11-27)23(28-9-8-26-17-28)21-5-4-20-15-22(7-6-19(20)14-21)32-16-25(2,3)24(29)30/h4-9,14-15,17-18,23H,10-13,16H2,1-3H3,(H,29,30)/t18-,23+/m1/s1
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n/an/a 34n/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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162784
PNG
(CHEMBL181385 | {2-[6-(4-tert-Butoxy-benzyloxy)-nap...)
Show SMILES CC(C(c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C29H35N3O2/c1-21(31(5)6)28(32-16-15-30-20-32)25-10-9-24-18-27(14-11-23(24)17-25)33-19-22-7-12-26(13-8-22)34-29(2,3)4/h7-18,20-21,28H,19H2,1-6H3
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n/an/a 34n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162775
PNG
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C25H34N4O2/c1-18(27(4)5)23(29-13-12-26-17-29)21-9-8-20-15-22(11-10-19(20)14-21)31-16-25(2,3)24(30)28(6)7/h8-15,17-18,23H,16H2,1-7H3
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n/an/a 35n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183233
PNG
(1-((6-((1R,2R)-2-(dimethylamino)-1-(1H-imidazol-1-...)
Show SMILES C[C@H]([C@@H](c1ccc2cc(OCC3(CC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C23H27N3O3/c1-16(25(2)3)21(26-11-10-24-15-26)19-5-4-18-13-20(7-6-17(18)12-19)29-14-23(8-9-23)22(27)28/h4-7,10-13,15-16,21H,8-9,14H2,1-3H3,(H,27,28)/t16-,21+/m1/s1
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n/an/a 35n/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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162785
PNG
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES CNC(=O)c1cccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)c1
Show InChI InChI=1S/C27H30N4O2/c1-19(30(3)4)26(31-13-12-29-18-31)23-9-8-22-16-25(11-10-21(22)15-23)33-17-20-6-5-7-24(14-20)27(32)28-2/h5-16,18-19,26H,17H2,1-4H3,(H,28,32)
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n/an/a 37n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183239
PNG
(2-((6-((1R,2R)-2-(dimethylamino)-1-(1H-imidazol-1-...)
Show SMILES CCC(CC)(COc1ccc2cc(ccc2c1)[C@H]([C@@H](C)N(C)C)n1ccnc1)C(O)=O
Show InChI InChI=1S/C25H33N3O3/c1-6-25(7-2,24(29)30)16-31-22-11-10-19-14-21(9-8-20(19)15-22)23(18(3)27(4)5)28-13-12-26-17-28/h8-15,17-18,23H,6-7,16H2,1-5H3,(H,29,30)/t18-,23+/m1/s1
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n/an/a 37n/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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50162793
PNG
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES COC(=O)c1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1
Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)26(30-14-13-28-18-30)24-10-9-23-16-25(12-11-22(23)15-24)33-17-20-5-7-21(8-6-20)27(31)32-4/h5-16,18-19,26H,17H2,1-4H3
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n/an/a 40n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity


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


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50162784
PNG
(CHEMBL181385 | {2-[6-(4-tert-Butoxy-benzyloxy)-nap...)
Show SMILES CC(C(c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C29H35N3O2/c1-21(31(5)6)28(32-16-15-30-20-32)25-10-9-24-18-27(14-11-23(24)17-25)33-19-22-7-12-26(13-8-22)34-29(2,3)4/h7-18,20-21,28H,19H2,1-6H3
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n/an/a 40n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Selectivity towards cytochrome P450 3A4 enzyme activity


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


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183227
PNG
(1-((6-((1R,2R)-2-(dimethylamino)-1-(1H-imidazol-1-...)
Show SMILES C[C@H]([C@@H](c1ccc2cc(OCC3(CCC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C24H29N3O3/c1-17(26(2)3)22(27-12-11-25-16-27)20-6-5-19-14-21(8-7-18(19)13-20)30-15-24(23(28)29)9-4-10-24/h5-8,11-14,16-17,22H,4,9-10,15H2,1-3H3,(H,28,29)/t17-,22+/m1/s1
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n/an/a 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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
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 46n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162792
PNG
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C(N)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C23H30N4O2/c1-16(26(4)5)21(27-11-10-25-15-27)19-7-6-18-13-20(9-8-17(18)12-19)29-14-23(2,3)22(24)28/h6-13,15-16,21H,14H2,1-5H3,(H2,24,28)
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n/an/a 47n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183235
PNG
(4-((6-((1R,2R)-2-(dimethylamino)-1-(1H-imidazol-1-...)
Show SMILES C[C@H]([C@@H](c1ccc2cc(OCC3(CCOCC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C25H31N3O4/c1-18(27(2)3)23(28-11-10-26-17-28)21-5-4-20-15-22(7-6-19(20)14-21)32-16-25(24(29)30)8-12-31-13-9-25/h4-7,10-11,14-15,17-18,23H,8-9,12-13,16H2,1-3H3,(H,29,30)/t18-,23+/m1/s1
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n/an/a 47n/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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162786
PNG
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES CC(C(c1ccc2cc(OCc3cccc(c3)C(N)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C26H28N4O2/c1-18(29(2)3)25(30-12-11-28-17-30)22-8-7-21-15-24(10-9-20(21)14-22)32-16-19-5-4-6-23(13-19)26(27)31/h4-15,17-18,25H,16H2,1-3H3,(H2,27,31)
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n/an/a 48n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162789
PNG
(CHEMBL180856 | [2-(6-Benzyloxy-naphthalen-2-yl)-2-...)
Show SMILES CC(C(c1ccc2cc(OCc3ccccc3)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C25H27N3O/c1-19(27(2)3)25(28-14-13-26-18-28)23-10-9-22-16-24(12-11-21(22)15-23)29-17-20-7-5-4-6-8-20/h4-16,18-19,25H,17H2,1-3H3
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n/an/a 50n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162779
PNG
(3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES CNC(=O)C(C)(C)COc1ccc2cc(ccc2c1)C(C(C)N(C)C)n1ccnc1
Show InChI InChI=1S/C24H32N4O2/c1-17(27(5)6)22(28-12-11-26-16-28)20-8-7-19-14-21(10-9-18(19)13-20)30-15-24(2,3)23(29)25-4/h7-14,16-17,22H,15H2,1-6H3,(H,25,29)
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n/an/a 54n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50183238
PNG
(3-(6-((1R,2R)-2-(butyl(methyl)amino)-1-(1H-imidazo...)
Show SMILES CCCCN(C)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
Show InChI InChI=1S/C26H35N3O3/c1-6-7-13-28(5)19(2)24(29-14-12-27-18-29)22-9-8-21-16-23(11-10-20(21)15-22)32-17-26(3,4)25(30)31/h8-12,14-16,18-19,24H,6-7,13,17H2,1-5H3,(H,30,31)/t19-,24+/m1/s1
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n/an/a 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)


Article DOI: 10.1016/j.bmcl.2006.02.020
BindingDB Entry DOI: 10.7270/Q24Q7TK9
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 71n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162777
PNG
(CHEMBL180805 | {2-[6-(2,2-Dimethyl-propoxy)-naphth...)
Show SMILES CC(C(c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C23H31N3O/c1-17(25(5)6)22(26-12-11-24-16-26)20-8-7-19-14-21(10-9-18(19)13-20)27-15-23(2,3)4/h7-14,16-17,22H,15H2,1-6H3
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n/an/a 73n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162790
PNG
(CHEMBL180592 | {2-Imidazol-1-yl-1-methyl-2-[6-(4-n...)
Show SMILES CC(C(c1ccc2cc(OCc3ccc(cc3)[N+]([O-])=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C25H26N4O3/c1-18(27(2)3)25(28-13-12-26-17-28)22-7-6-21-15-24(11-8-20(21)14-22)32-16-19-4-9-23(10-5-19)29(30)31/h4-15,17-18,25H,16H2,1-3H3
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n/an/a 77n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162793
PNG
(4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naph...)
Show SMILES COC(=O)c1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1
Show InChI InChI=1S/C27H29N3O3/c1-19(29(2)3)26(30-14-13-28-18-30)24-10-9-23-16-25(12-11-22(23)15-24)33-17-20-5-7-21(8-6-20)27(31)32-4/h5-16,18-19,26H,17H2,1-4H3
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n/an/a 85n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162784
PNG
(CHEMBL181385 | {2-[6-(4-tert-Butoxy-benzyloxy)-nap...)
Show SMILES CC(C(c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C29H35N3O2/c1-21(31(5)6)28(32-16-15-30-20-32)25-10-9-24-18-27(14-11-23(24)17-25)33-19-22-7-12-26(13-8-22)34-29(2,3)4/h7-18,20-21,28H,19H2,1-6H3
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n/an/a 86n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50162783
PNG
(CHEMBL179825 | {4-[6-(2-Dimethylamino-1-imidazol-1...)
Show SMILES COC(=O)Cc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1
Show InChI InChI=1S/C28H31N3O3/c1-20(30(2)3)28(31-14-13-29-19-31)25-10-9-24-17-26(12-11-23(24)16-25)34-18-22-7-5-21(6-8-22)15-27(32)33-4/h5-14,16-17,19-20,28H,15,18H2,1-4H3
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n/an/a 100n/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)


Article DOI: 10.1016/j.bmcl.2005.01.044
BindingDB Entry DOI: 10.7270/Q2WW7H5R
More data for this
Ligand-Target Pair
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