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PubMed code 15745819

Compile data set for download or QSAR
Found 64 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))
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))
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))
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 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))
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))
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))
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))
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 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 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 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))
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))
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
Cytochrome P450 3A


(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 140n/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))
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 153n/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))
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 160n/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))
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 200n/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))
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 210n/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))
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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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))
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 220n/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))
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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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))
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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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))
BDBM50162781
PNG
(CHEMBL178873 | [6-(2-Dimethylamino-1-imidazol-1-yl...)
Show SMILES CC(C(c1ccc2cc(OCC(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C20H23N3O3/c1-14(22(2)3)20(23-9-8-21-13-23)17-5-4-16-11-18(26-12-19(24)25)7-6-15(16)10-17/h4-11,13-14,20H,12H2,1-3H3,(H,24,25)
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n/an/a 335n/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))
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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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))
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 357n/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))
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 397n/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))
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 481n/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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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))
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 640n/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))
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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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))
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 750n/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))
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 1.18E+3n/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))
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 1.49E+3n/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))
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 1.59E+3n/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))
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 1.84E+3n/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))
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 2.01E+3n/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))
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 2.03E+3n/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))
BDBM50162781
PNG
(CHEMBL178873 | [6-(2-Dimethylamino-1-imidazol-1-yl...)
Show SMILES CC(C(c1ccc2cc(OCC(O)=O)ccc2c1)n1ccnc1)N(C)C
Show InChI InChI=1S/C20H23N3O3/c1-14(22(2)3)20(23-9-8-21-13-23)17-5-4-16-11-18(26-12-19(24)25)7-6-15(16)10-17/h4-11,13-14,20H,12H2,1-3H3,(H,24,25)
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n/an/a 2.20E+3n/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))
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 3.79E+3n/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 2C9


(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>5.00E+3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Selectivity towards cytochrome P450 2C9 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 1A


(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>5.00E+3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Selectivity towards cytochrome P450 1A2 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 2D6 (2D6)


(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>5.00E+3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Selectivity towards cytochrome P450 2D6 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))
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 6.00E+3n/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))
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 6.30E+3n/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
* indicates data uncertainty>20%