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Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'lazarescu' and Initial = 'v'   
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))
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))
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))
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 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))
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))
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))
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))
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 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))
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))
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))
BDBM50183234
PNG
(3-(6-((1R,2R)-2-(cyclohexyl(methyl)amino)-1-(1H-im...)
Show SMILES C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C1CCCCC1
Show InChI InChI=1S/C28H37N3O3/c1-20(30(4)24-8-6-5-7-9-24)26(31-15-14-29-19-31)23-11-10-22-17-25(13-12-21(22)16-23)34-18-28(2,3)27(32)33/h10-17,19-20,24,26H,5-9,18H2,1-4H3,(H,32,33)/t20-,26+/m1/s1
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n/an/a 125n/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))
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 400n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
BDBM50183240
PNG
((R)-3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)et...)
Show SMILES CN(C)C[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
Show InChI InChI=1S/C22H27N3O3/c1-22(2,21(26)27)14-28-19-8-7-16-11-18(6-5-17(16)12-19)20(13-24(3)4)25-10-9-23-15-25/h5-12,15,20H,13-14H2,1-4H3,(H,26,27)/t20-/m0/s1
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n/an/a 403n/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))
BDBM50183234
PNG
(3-(6-((1R,2R)-2-(cyclohexyl(methyl)amino)-1-(1H-im...)
Show SMILES C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C1CCCCC1
Show InChI InChI=1S/C28H37N3O3/c1-20(30(4)24-8-6-5-7-9-24)26(31-15-14-29-19-31)23-11-10-22-17-25(13-12-21(22)16-23)34-18-28(2,3)27(32)33/h10-17,19-20,24,26H,5-9,18H2,1-4H3,(H,32,33)/t20-,26+/m1/s1
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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
BDBM50183236
PNG
(3-(6-((1R,2R)-1-(1H-imidazol-1-yl)-2-(pyrrolidin-1...)
Show SMILES C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N1CCCC1
Show InChI InChI=1S/C25H31N3O3/c1-18(27-11-4-5-12-27)23(28-13-10-26-17-28)21-7-6-20-15-22(9-8-19(20)14-21)31-16-25(2,3)24(29)30/h6-10,13-15,17-18,23H,4-5,11-12,16H2,1-3H3,(H,29,30)/t18-,23+/m1/s1
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n/an/a 583n/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))
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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
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 1.01E+3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
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 1.70E+3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
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 2.10E+3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
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 2.15E+3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
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 2.27E+3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
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 2.30E+3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
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 3.30E+3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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 2C9


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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 2C9


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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 2D6 (2D6)


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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 1A


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


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 2D6 (2D6)


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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 1A


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


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 2D6 (2D6)


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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 2D6 (2D6)


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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 1A


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


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 2D6 (2D6)


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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 1A


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


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 2C9


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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 1A


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


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 2C9


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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 2C9


(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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OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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))
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 5.30E+3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
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 6.30E+3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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))
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 7.50E+3n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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
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