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PubMed code 21823617

Compile data set for download or QSAR
Found 58 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))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50352764
PNG
(CHEMBL1823220)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#C)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C28H26N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h1,5-6,11-13,19,30H,7-10,15-16H2,2-3H3
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n/an/a 2.70n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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n/an/a 2.90n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50352765
PNG
(CHEMBL1823219)
Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C27H28N4O2/c1-16-10-20-21(12-23(16)31-8-6-30(7-9-31)18-14-33-15-18)27(2,3)26-24(25(20)32)19-5-4-17(13-28)11-22(19)29-26/h4-5,10-12,18,29H,6-9,14-15H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50352763
PNG
(CHEMBL1823222)
Show SMILES CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C29H32N4O2/c1-4-5-19-13-22-23(14-25(19)33-10-8-32(9-11-33)20-16-35-17-20)29(2,3)28-26(27(22)34)21-7-6-18(15-30)12-24(21)31-28/h6-7,12-14,20,31H,4-5,8-11,16-17H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50344663
PNG
(6,6-dimethyl-8-(4-(oxetan-3-yl)piperazin-1-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C26H26N4O2/c1-26(2)21-12-17(29-7-9-30(10-8-29)18-14-32-15-18)4-6-19(21)24(31)23-20-5-3-16(13-27)11-22(20)28-25(23)26/h3-6,11-12,18,28H,7-10,14-15H2,1-2H3
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n/an/a 27n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50352765
PNG
(CHEMBL1823219)
Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C27H28N4O2/c1-16-10-20-21(12-23(16)31-8-6-30(7-9-31)18-14-33-15-18)27(2,3)26-24(25(20)32)19-5-4-17(13-28)11-22(19)29-26/h4-5,10-12,18,29H,6-9,14-15H2,1-3H3
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n/an/a 50n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50352765
PNG
(CHEMBL1823219)
Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C27H28N4O2/c1-16-10-20-21(12-23(16)31-8-6-30(7-9-31)18-14-33-15-18)27(2,3)26-24(25(20)32)19-5-4-17(13-28)11-22(19)29-26/h4-5,10-12,18,29H,6-9,14-15H2,1-3H3
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n/an/a 61n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KDR activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50352762
PNG
(CHEMBL1823223)
Show SMILES CC(C)c1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C29H32N4O2/c1-17(2)21-12-22-23(13-25(21)33-9-7-32(8-10-33)19-15-35-16-19)29(3,4)28-26(27(22)34)20-6-5-18(14-30)11-24(20)31-28/h5-6,11-13,17,19,31H,7-10,15-16H2,1-4H3
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n/an/a 66n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50344663
PNG
(6,6-dimethyl-8-(4-(oxetan-3-yl)piperazin-1-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C26H26N4O2/c1-26(2)21-12-17(29-7-9-30(10-8-29)18-14-32-15-18)4-6-19(21)24(31)23-20-5-3-16(13-27)11-22(20)28-25(23)26/h3-6,11-12,18,28H,7-10,14-15H2,1-2H3
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n/an/a 84n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KDR activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50344663
PNG
(6,6-dimethyl-8-(4-(oxetan-3-yl)piperazin-1-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C26H26N4O2/c1-26(2)21-12-17(29-7-9-30(10-8-29)18-14-32-15-18)4-6-19(21)24(31)23-20-5-3-16(13-27)11-22(20)28-25(23)26/h3-6,11-12,18,28H,7-10,14-15H2,1-2H3
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n/an/a 137n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KDR activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50352761
PNG
(CHEMBL1823361 | US9126931, 353)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(CCC3CCCC3)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C33H38N4O2/c1-33(2)27-17-29(37-13-11-36(12-14-37)24-19-39-20-24)23(9-7-21-5-3-4-6-21)16-26(27)31(38)30-25-10-8-22(18-34)15-28(25)35-32(30)33/h8,10,15-17,21,24,35H,3-7,9,11-14,19-20H2,1-2H3
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n/an/a 186n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a 310n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of INSR activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a 360n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FGFR2 activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a 370n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ABL activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50352764
PNG
(CHEMBL1823220)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#C)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C28H26N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h1,5-6,11-13,19,30H,7-10,15-16H2,2-3H3
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n/an/a 455n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KDR activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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n/an/a 460n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of INSR activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of IGF1R activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50352764
PNG
(CHEMBL1823220)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#C)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C28H26N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h1,5-6,11-13,19,30H,7-10,15-16H2,2-3H3
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n/an/a 2.42E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50344663
PNG
(6,6-dimethyl-8-(4-(oxetan-3-yl)piperazin-1-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C26H26N4O2/c1-26(2)21-12-17(29-7-9-30(10-8-29)18-14-32-15-18)4-6-19(21)24(31)23-20-5-3-16(13-27)11-22(20)28-25(23)26/h3-6,11-12,18,28H,7-10,14-15H2,1-2H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MET activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50352763
PNG
(CHEMBL1823222)
Show SMILES CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C29H32N4O2/c1-4-5-19-13-22-23(14-25(19)33-10-8-32(9-11-33)20-16-35-17-20)29(2,3)28-26(27(22)34)21-7-6-18(15-30)12-24(21)31-28/h6-7,12-14,20,31H,4-5,8-11,16-17H2,1-3H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MET activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50352763
PNG
(CHEMBL1823222)
Show SMILES CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C29H32N4O2/c1-4-5-19-13-22-23(14-25(19)33-10-8-32(9-11-33)20-16-35-17-20)29(2,3)28-26(27(22)34)21-7-6-18(15-30)12-24(21)31-28/h6-7,12-14,20,31H,4-5,8-11,16-17H2,1-3H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KDR activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50352761
PNG
(CHEMBL1823361 | US9126931, 353)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(CCC3CCCC3)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C33H38N4O2/c1-33(2)27-17-29(37-13-11-36(12-14-37)24-19-39-20-24)23(9-7-21-5-3-4-6-21)16-26(27)31(38)30-25-10-8-22(18-34)15-28(25)35-32(30)33/h8,10,15-17,21,24,35H,3-7,9,11-14,19-20H2,1-2H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MET activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50352762
PNG
(CHEMBL1823223)
Show SMILES CC(C)c1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C29H32N4O2/c1-17(2)21-12-22-23(13-25(21)33-9-7-32(8-10-33)19-15-35-16-19)29(3,4)28-26(27(22)34)20-6-5-18(14-30)11-24(20)31-28/h5-6,11-13,17,19,31H,7-10,15-16H2,1-4H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MET activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50352765
PNG
(CHEMBL1823219)
Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C27H28N4O2/c1-16-10-20-21(12-23(16)31-8-6-30(7-9-31)18-14-33-15-18)27(2,3)26-24(25(20)32)19-5-4-17(13-28)11-22(19)29-26/h4-5,10-12,18,29H,6-9,14-15H2,1-3H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MET activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MET activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50352764
PNG
(CHEMBL1823220)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#C)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C28H26N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h1,5-6,11-13,19,30H,7-10,15-16H2,2-3H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MET activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50352761
PNG
(CHEMBL1823361 | US9126931, 353)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(CCC3CCCC3)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C33H38N4O2/c1-33(2)27-17-29(37-13-11-36(12-14-37)24-19-39-20-24)23(9-7-21-5-3-4-6-21)16-26(27)31(38)30-25-10-8-22(18-34)15-28(25)35-32(30)33/h8,10,15-17,21,24,35H,3-7,9,11-14,19-20H2,1-2H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50352761
PNG
(CHEMBL1823361 | US9126931, 353)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(CCC3CCCC3)c(cc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C33H38N4O2/c1-33(2)27-17-29(37-13-11-36(12-14-37)24-19-39-20-24)23(9-7-21-5-3-4-6-21)16-26(27)31(38)30-25-10-8-22(18-34)15-28(25)35-32(30)33/h8,10,15-17,21,24,35H,3-7,9,11-14,19-20H2,1-2H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KDR activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KDR activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50352762
PNG
(CHEMBL1823223)
Show SMILES CC(C)c1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C29H32N4O2/c1-17(2)21-12-22-23(13-25(21)33-9-7-32(8-10-33)19-15-35-16-19)29(3,4)28-26(27(22)34)20-6-5-18(14-30)11-24(20)31-28/h5-6,11-13,17,19,31H,7-10,15-16H2,1-4H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50352762
PNG
(CHEMBL1823223)
Show SMILES CC(C)c1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C29H32N4O2/c1-17(2)21-12-22-23(13-25(21)33-9-7-32(8-10-33)19-15-35-16-19)29(3,4)28-26(27(22)34)20-6-5-18(14-30)11-24(20)31-28/h5-6,11-13,17,19,31H,7-10,15-16H2,1-4H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KDR activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50352763
PNG
(CHEMBL1823222)
Show SMILES CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C29H32N4O2/c1-4-5-19-13-22-23(14-25(19)33-10-8-32(9-11-33)20-16-35-17-20)29(2,3)28-26(27(22)34)21-7-6-18(15-30)12-24(21)31-28/h6-7,12-14,20,31H,4-5,8-11,16-17H2,1-3H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MET activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PKCA activity by fluorescence polarization assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of IGF1R activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PKCb2 activity by fluorescence polarization assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PKCb1 activity by fluorescence polarization assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PKCb2 activity by fluorescence polarization assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FGFR2 activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of EGFR activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HER2 activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PKCb2 activity by fluorescence polarization assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Raf-1 activity assessed as MEK1/2 phosphorylation


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of EGFR activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HER2 activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 activity by fluorescence polarization assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 activity by fluorescence polarization assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A activity by fluorescence polarization assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of KIT activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A activity by fluorescence polarization assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Raf-1 activity assessed as MEK1/2 phosphorylation


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50352760
PNG
(CHEMBL1823221 | US9126931, 350)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
Show InChI InChI=1S/C28H30N4O2/c1-4-18-12-21-22(13-24(18)32-9-7-31(8-10-32)19-15-34-16-19)28(2,3)27-25(26(21)33)20-6-5-17(14-29)11-23(20)30-27/h5-6,11-13,19,30H,4,7-10,15-16H2,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ABL activity by TR-FRET assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50344664
PNG
(6,6-dimethyl-8-(1-(oxetan-3-yl)piperidin-4-yl)-11-...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-12-18(17-7-9-30(10-8-17)19-14-32-15-19)4-6-20(22)25(31)24-21-5-3-16(13-28)11-23(21)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PKCA activity by fluorescence polarization assay


J Med Chem 54: 6286-94 (2011)


Article DOI: 10.1021/jm200652u
BindingDB Entry DOI: 10.7270/Q2P55NWZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%