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PubMed code 25655723

Compile data set for download or QSAR
Found 27 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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101810
PNG
(CHEMBL3398166)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@]1(O)CCN(C)C[C@@H]1O
Show InChI InChI=1S/C26H29N5O4/c1-30-13-12-26(33,24(32)16-30)17-8-10-20(23(14-17)35-3)28-25-27-15-18-9-11-21(31(18)29-25)19-6-4-5-7-22(19)34-2/h4-11,14-15,24,32-33H,12-13,16H2,1-3H3,(H,28,29)/t24-,26-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101803
PNG
(CHEMBL3398174)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@H]3CCN(CCO)C[C@@H]3O)nn12
Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101805
PNG
(CHEMBL3398172)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C)CC1O
Show InChI InChI=1S/C26H29N5O3/c1-30-13-12-19(23(32)16-30)17-8-10-21(25(14-17)34-3)28-26-27-15-18-9-11-22(31(18)29-26)20-6-4-5-7-24(20)33-2/h4-11,14-15,19,23,32H,12-13,16H2,1-3H3,(H,28,29)
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n/an/a 3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101808
PNG
(CHEMBL3398169)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@]1(O)CCNC[C@@H]1O
Show InChI InChI=1S/C25H27N5O4/c1-33-21-6-4-3-5-18(21)20-10-8-17-14-27-24(29-30(17)20)28-19-9-7-16(13-22(19)34-2)25(32)11-12-26-15-23(25)31/h3-10,13-14,23,26,31-32H,11-12,15H2,1-2H3,(H,28,29)/t23-,25-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101802
PNG
(CHEMBL3398175)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12
Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101806
PNG
(CHEMBL3398171)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@]3(O)CCN(CC(N)=O)C[C@@H]3O)nn12
Show InChI InChI=1S/C27H30N6O5/c1-37-22-6-4-3-5-19(22)21-10-8-18-14-29-26(31-33(18)21)30-20-9-7-17(13-23(20)38-2)27(36)11-12-32(15-24(27)34)16-25(28)35/h3-10,13-14,24,34,36H,11-12,15-16H2,1-2H3,(H2,28,35)(H,30,31)/t24-,27-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101809
PNG
(CHEMBL3398168)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)[C@@]1(O)CCNC[C@@H]1O
Show InChI InChI=1S/C26H30N6O5S/c1-31(38(3,35)36)21-7-5-4-6-19(21)22-11-9-18-15-28-25(30-32(18)22)29-20-10-8-17(14-23(20)37-2)26(34)12-13-27-16-24(26)33/h4-11,14-15,24,27,33-34H,12-13,16H2,1-3H3,(H,29,30)/t24-,26-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101804
PNG
(CHEMBL3397057)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@H]1CCNC[C@@H]1O
Show InChI InChI=1S/C25H27N5O3/c1-32-23-6-4-3-5-19(23)21-10-8-17-14-27-25(29-30(17)21)28-20-9-7-16(13-24(20)33-2)18-11-12-26-15-22(18)31/h3-10,13-14,18,22,26,31H,11-12,15H2,1-2H3,(H,28,29)/t18-,22-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101811
PNG
(CHEMBL3398173)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@H]3CCN(CC(N)=O)C[C@@H]3O)nn12
Show InChI InChI=1S/C27H30N6O4/c1-36-24-6-4-3-5-20(24)22-10-8-18-14-29-27(31-33(18)22)30-21-9-7-17(13-25(21)37-2)19-11-12-32(15-23(19)34)16-26(28)35/h3-10,13-14,19,23,34H,11-12,15-16H2,1-2H3,(H2,28,35)(H,30,31)/t19-,23-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101807
PNG
(CHEMBL3398170)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)[C@@]1(O)CCN(CC(N)=O)C[C@@H]1O
Show InChI InChI=1S/C28H33N7O6S/c1-33(42(3,39)40)22-7-5-4-6-20(22)23-11-9-19-15-30-27(32-35(19)23)31-21-10-8-18(14-24(21)41-2)28(38)12-13-34(16-25(28)36)17-26(29)37/h4-11,14-15,25,36,38H,12-13,16-17H2,1-3H3,(H2,29,37)(H,31,32)/t25-,28-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101805
PNG
(CHEMBL3398172)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C)CC1O
Show InChI InChI=1S/C26H29N5O3/c1-30-13-12-19(23(32)16-30)17-8-10-21(25(14-17)34-3)28-26-27-15-18-9-11-22(31(18)29-26)20-6-4-5-7-24(20)33-2/h4-11,14-15,19,23,32H,12-13,16H2,1-3H3,(H,28,29)
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n/an/a 30n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by cellular assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101810
PNG
(CHEMBL3398166)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@]1(O)CCN(C)C[C@@H]1O
Show InChI InChI=1S/C26H29N5O4/c1-30-13-12-26(33,24(32)16-30)17-8-10-20(23(14-17)35-3)28-25-27-15-18-9-11-21(31(18)29-25)19-6-4-5-7-22(19)34-2/h4-11,14-15,24,32-33H,12-13,16H2,1-3H3,(H,28,29)/t24-,26-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by cellular assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101808
PNG
(CHEMBL3398169)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@]1(O)CCNC[C@@H]1O
Show InChI InChI=1S/C25H27N5O4/c1-33-21-6-4-3-5-18(21)20-10-8-17-14-27-24(29-30(17)20)28-19-9-7-16(13-22(19)34-2)25(32)11-12-26-15-23(25)31/h3-10,13-14,23,26,31-32H,11-12,15H2,1-2H3,(H,28,29)/t23-,25-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by cellular assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101802
PNG
(CHEMBL3398175)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12
Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by cellular assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50103367
PNG
(CHEMBL3398167)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@]3(O)CCN(C[C@@H]3O)C(=O)OC(C)(C)C)nn12
Show InChI InChI=1S/C30H35N5O6/c1-29(2,3)41-28(37)34-15-14-30(38,26(36)18-34)19-10-12-22(25(16-19)40-5)32-27-31-17-20-11-13-23(35(20)33-27)21-8-6-7-9-24(21)39-4/h6-13,16-17,26,36,38H,14-15,18H2,1-5H3,(H,32,33)/t26-,30-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101806
PNG
(CHEMBL3398171)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@]3(O)CCN(CC(N)=O)C[C@@H]3O)nn12
Show InChI InChI=1S/C27H30N6O5/c1-37-22-6-4-3-5-19(22)21-10-8-18-14-29-26(31-33(18)21)30-20-9-7-17(13-23(20)38-2)27(36)11-12-32(15-24(27)34)16-25(28)35/h3-10,13-14,24,34,36H,11-12,15-16H2,1-2H3,(H2,28,35)(H,30,31)/t24-,27-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by cellular assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101803
PNG
(CHEMBL3398174)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@H]3CCN(CCO)C[C@@H]3O)nn12
Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by cellular assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101804
PNG
(CHEMBL3397057)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@H]1CCNC[C@@H]1O
Show InChI InChI=1S/C25H27N5O3/c1-32-23-6-4-3-5-19(23)21-10-8-17-14-27-25(29-30(17)21)28-20-9-7-16(13-24(20)33-2)18-11-12-26-15-22(18)31/h3-10,13-14,18,22,26,31H,11-12,15H2,1-2H3,(H,28,29)/t18-,22-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by cellular assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101807
PNG
(CHEMBL3398170)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)[C@@]1(O)CCN(CC(N)=O)C[C@@H]1O
Show InChI InChI=1S/C28H33N7O6S/c1-33(42(3,39)40)22-7-5-4-6-20(22)23-11-9-19-15-30-27(32-35(19)23)31-21-10-8-18(14-24(21)41-2)28(38)12-13-34(16-25(28)36)17-26(29)37/h4-11,14-15,25,36,38H,12-13,16-17H2,1-3H3,(H2,29,37)(H,31,32)/t25-,28-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by cellular assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50101809
PNG
(CHEMBL3398168)
Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)[C@@]1(O)CCNC[C@@H]1O
Show InChI InChI=1S/C26H30N6O5S/c1-31(38(3,35)36)21-7-5-4-6-19(21)22-11-9-18-15-28-25(30-32(18)22)29-20-10-8-17(14-23(20)37-2)26(34)12-13-27-16-24(26)33/h4-11,14-15,24,27,33-34H,12-13,16H2,1-3H3,(H,29,30)/t24-,26-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK (unknown origin) by cellular assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50101802
PNG
(CHEMBL3398175)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12
Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24+/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp cellular assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50101806
PNG
(CHEMBL3398171)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@]3(O)CCN(CC(N)=O)C[C@@H]3O)nn12
Show InChI InChI=1S/C27H30N6O5/c1-37-22-6-4-3-5-19(22)21-10-8-18-14-29-26(31-33(18)21)30-20-9-7-17(13-23(20)38-2)27(36)11-12-32(15-24(27)34)16-25(28)35/h3-10,13-14,24,34,36H,11-12,15-16H2,1-2H3,(H2,28,35)(H,30,31)/t24-,27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp cellular assay


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50101802
PNG
(CHEMBL3398175)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12
Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24+/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50101802
PNG
(CHEMBL3398175)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12
Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24+/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50101802
PNG
(CHEMBL3398175)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12
Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24+/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50101802
PNG
(CHEMBL3398175)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12
Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50101802
PNG
(CHEMBL3398175)
Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12
Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Teva Branded Pharmaceutical Products R&D, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6A (unknown origin)


Bioorg Med Chem Lett 25: 1047-52 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%