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PubMed code 24176395

Compile data set for download or QSAR
Found 30 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
Casein kinase I isoform alpha


(Homo sapiens (Human))		BDBM50443871
PNG
(CHEMBL3091536)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-2-4-14(20)5-3-13/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of CK1 (unknown origin)

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443880
PNG
(CHEMBL3091537)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C20H18N6O2/c1-25-19(27)10-17(16-6-7-22-13-23-16)24-20(25)26-8-9-28-18(12-26)15-4-2-14(11-21)3-5-15/h2-7,10,13,18H,8-9,12H2,1H3/t18-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50443881
PNG
(CHEMBL3091531)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@H](C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H18F2N4O2/c1-25-19(27)10-17(15-6-7-23-11-16(15)22)24-20(25)26-8-9-28-18(12-26)13-2-4-14(21)5-3-13/h2-7,10-11,18H,8-9,12H2,1H3/t18-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443879
PNG
(CHEMBL3091538)
Show SMILES COc1ccc(cc1)[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-24-19(26)11-17(16-7-8-21-13-22-16)23-20(24)25-9-10-28-18(12-25)14-3-5-15(27-2)6-4-14/h3-8,11,13,18H,9-10,12H2,1-2H3/t18-/m1/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50443876
PNG
(CHEMBL3091540)
Show SMILES COc1ccccc1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-24-19(26)11-16(15-7-8-21-13-22-15)23-20(24)25-9-10-28-18(12-25)14-5-3-4-6-17(14)27-2/h3-8,11,13,18H,9-10,12H2,1-2H3/t18-/m1/s1
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n/an/a 1.57E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443876
PNG
(CHEMBL3091540)
Show SMILES COc1ccccc1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-24-19(26)11-16(15-7-8-21-13-22-15)23-20(24)25-9-10-28-18(12-25)14-5-3-4-6-17(14)27-2/h3-8,11,13,18H,9-10,12H2,1-2H3/t18-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50443875
PNG
(CHEMBL3091541)
Show SMILES COc1cc(F)ccc1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C20H20FN5O3/c1-25-19(27)10-16(15-5-6-22-12-23-15)24-20(25)26-7-8-29-18(11-26)14-4-3-13(21)9-17(14)28-2/h3-6,9-10,12,18H,7-8,11H2,1-2H3/t18-/m1/s1
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n/an/a 1.65E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50443882
PNG
(CHEMBL3091529)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCO[C@H](C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H19FN4O2/c1-24-19(26)12-17(14-6-8-22-9-7-14)23-20(24)25-10-11-27-18(13-25)15-2-4-16(21)5-3-15/h2-9,12,18H,10-11,13H2,1H3/t18-/m1/s1
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n/an/a 1.71E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443875
PNG
(CHEMBL3091541)
Show SMILES COc1cc(F)ccc1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C20H20FN5O3/c1-25-19(27)10-16(15-5-6-22-12-23-15)24-20(25)26-7-8-29-18(11-26)14-4-3-13(21)9-17(14)28-2/h3-6,9-10,12,18H,7-8,11H2,1-2H3/t18-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50443872
PNG
(CHEMBL3091544)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1c(F)cccc1Cl |r|
Show InChI InChI=1S/C19H17ClFN5O2/c1-25-17(27)9-15(14-5-6-22-11-23-14)24-19(25)26-7-8-28-16(10-26)18-12(20)3-2-4-13(18)21/h2-6,9,11,16H,7-8,10H2,1H3/t16-/m1/s1
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n/an/a 1.95E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443881
PNG
(CHEMBL3091531)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCO[C@H](C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H18F2N4O2/c1-25-19(27)10-17(15-6-7-23-11-16(15)22)24-20(25)26-8-9-28-18(12-26)13-2-4-14(21)5-3-13/h2-7,10-11,18H,8-9,12H2,1H3/t18-/m1/s1
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n/an/a 2.21E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50443884
PNG
(CHEMBL3091546)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1S/C20H20N4O2/c1-23-19(25)13-17(15-7-9-21-10-8-15)22-20(23)24-11-12-26-18(14-24)16-5-3-2-4-6-16/h2-10,13,18H,11-12,14H2,1H3
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n/an/a 2.31E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50443877
PNG
(CHEMBL3091539)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccccc1F |r|
Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-4-2-3-5-14(13)20/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1
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n/an/a 2.33E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50443883
PNG
(CHEMBL3091547)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCOC(C1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O2/c1-24-19(26)12-17(14-6-8-22-9-7-14)23-20(24)25-10-11-27-18(13-25)15-2-4-16(21)5-3-15/h2-9,12,18H,10-11,13H2,1H3
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n/an/a 2.39E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443878
PNG
(CHEMBL3091464)
Show SMILES COc1cccc(c1)[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-24-19(26)11-17(16-6-7-21-13-22-16)23-20(24)25-8-9-28-18(12-25)14-4-3-5-15(10-14)27-2/h3-7,10-11,13,18H,8-9,12H2,1-2H3/t18-/m1/s1
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n/an/a 2.66E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443873
PNG
(CHEMBL3091543)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(cc1F)C#N |r|
Show InChI InChI=1S/C20H17FN6O2/c1-26-19(28)9-17(16-4-5-23-12-24-16)25-20(26)27-6-7-29-18(11-27)14-3-2-13(10-22)8-15(14)21/h2-5,8-9,12,18H,6-7,11H2,1H3/t18-/m1/s1
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n/an/a 2.67E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50443871
PNG
(CHEMBL3091536)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-2-4-14(20)5-3-13/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1
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n/an/a 2.94E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443872
PNG
(CHEMBL3091544)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1c(F)cccc1Cl |r|
Show InChI InChI=1S/C19H17ClFN5O2/c1-25-17(27)9-15(14-5-6-22-11-23-14)24-19(25)26-7-8-28-16(10-26)18-12(20)3-2-4-13(18)21/h2-6,9,11,16H,7-8,10H2,1H3/t16-/m1/s1
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n/an/a 3.23E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443877
PNG
(CHEMBL3091539)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccccc1F |r|
Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-4-2-3-5-14(13)20/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1
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n/an/a 3.24E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443883
PNG
(CHEMBL3091547)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCOC(C1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O2/c1-24-19(26)12-17(14-6-8-22-9-7-14)23-20(24)25-10-11-27-18(13-25)15-2-4-16(21)5-3-15/h2-9,12,18H,10-11,13H2,1H3
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n/an/a 3.58E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443871
PNG
(CHEMBL3091536)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-2-4-14(20)5-3-13/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1
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n/an/a 3.97E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443882
PNG
(CHEMBL3091529)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCO[C@H](C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H19FN4O2/c1-24-19(26)12-17(14-6-8-22-9-7-14)23-20(24)25-10-11-27-18(13-25)15-2-4-16(21)5-3-15/h2-9,12,18H,10-11,13H2,1H3/t18-/m1/s1
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n/an/a 4.42E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443884
PNG
(CHEMBL3091546)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1S/C20H20N4O2/c1-23-19(25)13-17(15-7-9-21-10-8-15)22-20(23)24-11-12-26-18(14-24)16-5-3-2-4-6-16/h2-10,13,18H,11-12,14H2,1H3
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n/an/a 4.74E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50443873
PNG
(CHEMBL3091543)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(cc1F)C#N |r|
Show InChI InChI=1S/C20H17FN6O2/c1-26-19(28)9-17(16-4-5-23-12-24-16)25-20(26)27-6-7-29-18(11-27)14-3-2-13(10-22)8-15(14)21/h2-5,8-9,12,18H,6-7,11H2,1H3/t18-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50443874
PNG
(CHEMBL3091542)
Show SMILES COc1cccc(OC)c1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C21H23N5O4/c1-25-19(27)11-15(14-7-8-22-13-23-14)24-21(25)26-9-10-30-18(12-26)20-16(28-2)5-4-6-17(20)29-3/h4-8,11,13,18H,9-10,12H2,1-3H3/t18-/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443874
PNG
(CHEMBL3091542)
Show SMILES COc1cccc(OC)c1[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C21H23N5O4/c1-25-19(27)11-15(14-7-8-22-13-23-14)24-21(25)26-9-10-30-18(12-26)20-16(28-2)5-4-6-17(20)29-3/h4-8,11,13,18H,9-10,12H2,1-3H3/t18-/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50443880
PNG
(CHEMBL3091537)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C20H18N6O2/c1-25-19(27)10-17(16-6-7-22-13-23-16)24-20(25)26-8-9-28-18(12-26)15-4-2-14(11-21)3-5-15/h2-7,10,13,18H,8-9,12H2,1H3/t18-/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50443879
PNG
(CHEMBL3091538)
Show SMILES COc1ccc(cc1)[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-24-19(26)11-17(16-7-8-21-13-22-16)23-20(24)25-9-10-28-18(12-25)14-3-5-15(27-2)6-4-14/h3-8,11,13,18H,9-10,12H2,1-2H3/t18-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50443878
PNG
(CHEMBL3091464)
Show SMILES COc1cccc(c1)[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
Show InChI InChI=1S/C20H21N5O3/c1-24-19(26)11-17(16-6-7-21-13-22-16)23-20(24)25-8-9-28-18(12-25)14-4-3-5-15(10-14)27-2/h3-7,10-11,13,18H,8-9,12H2,1-2H3/t18-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1A2

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50443870
PNG
(CHEMBL3091545)
Show SMILES Cn1c(NCC(=O)c2ccccc2)nc(cc1=O)-c1ccncc1
Show InChI InChI=1S/C18H16N4O2/c1-22-17(24)11-15(13-7-9-19-10-8-13)21-18(22)20-12-16(23)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21)
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2D6

Bioorg Med Chem Lett 23: 6933-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.020
BindingDB Entry DOI: 10.7270/Q2VT1TJ4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%