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PubMed code 22225917

Compile data set for download or QSAR
Found 44 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))
BDBM50362779
PNG
(CHEMBL1940181 | US9126931, 346)
Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C29H32N4O2/c1-18-14-22-23(16-25(18)33-8-6-20(7-9-33)32-10-12-35-13-11-32)29(2,3)28-26(27(22)34)21-5-4-19(17-30)15-24(21)31-28/h4-5,14-16,20,31H,6-13H2,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50362778
PNG
(CHEMBL1940182)
Show SMILES CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C31H36N4O2/c1-4-5-21-17-24-25(18-27(21)35-10-8-22(9-11-35)34-12-14-37-15-13-34)31(2,3)30-28(29(24)36)23-7-6-20(19-32)16-26(23)33-30/h6-7,16-18,22,33H,4-5,8-15H2,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50362781
PNG
(1256580-46-7 | AF802 | Alecensa | Alectinib | CH54...)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3
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n/an/a 1.90n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50362782
PNG
(CHEMBL1940179)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C29H32N4O/c1-4-19-15-22-23(16-25(19)33-12-10-32(11-13-33)20-6-5-7-20)29(2,3)28-26(27(22)34)21-9-8-18(17-30)14-24(21)31-28/h8-9,14-16,20,31H,4-7,10-13H2,1-3H3
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n/an/a 2.40n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
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 using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50362783
PNG
(CHEMBL1940178)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CC1
Show InChI InChI=1S/C28H30N4O/c1-4-18-14-21-22(15-24(18)32-11-9-31(10-12-32)19-6-7-19)28(2,3)27-25(26(21)33)20-8-5-17(16-29)13-23(20)30-27/h5,8,13-15,19,30H,4,6-7,9-12H2,1-3H3
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n/an/a 5.20n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50362780
PNG
(CHEMBL1940180)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCC(CC1)N1CCOCC1)C#N
Show InChI InChI=1S/C28H30N4O2/c1-28(2)23-16-20(31-9-7-19(8-10-31)32-11-13-34-14-12-32)4-6-21(23)26(33)25-22-5-3-18(17-29)15-24(22)30-27(25)28/h3-6,15-16,19,30H,7-14H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50362787
PNG
(CHEMBL1940174)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1CCN(CC1)C1CC1)C#N
Show InChI InChI=1S/C27H27N3O/c1-27(2)22-8-4-18(17-9-11-30(12-10-17)19-5-6-19)14-21(22)25(31)24-20-7-3-16(15-28)13-23(20)29-26(24)27/h3-4,7-8,13-14,17,19,29H,5-6,9-12H2,1-2H3
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n/an/a 44n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50362786
PNG
(CHEMBL1940175)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-6-4-18(17-7-9-30(10-8-17)19-14-32-15-19)12-21(22)25(31)24-20-5-3-16(13-28)11-23(20)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a 67n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50362784
PNG
(CHEMBL1940177 | US9126931, 438)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C26H26N4O2/c1-26(2)21-6-4-17(29-7-9-30(10-8-29)18-14-32-15-18)12-20(21)24(31)23-19-5-3-16(13-27)11-22(19)28-25(23)26/h3-6,11-12,18,28H,7-10,14-15H2,1-2H3
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n/an/a 69.3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362779
PNG
(CHEMBL1940181 | US9126931, 346)
Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C29H32N4O2/c1-18-14-22-23(16-25(18)33-8-6-20(7-9-33)32-10-12-35-13-11-32)29(2,3)28-26(27(22)34)21-5-4-19(17-30)15-24(21)31-28/h4-5,14-16,20,31H,6-13H2,1-3H3
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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 KDR using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50362785
PNG
(CHEMBL1940176)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)N1CCN(CC1)C1CC1)C#N
Show InChI InChI=1S/C26H26N4O/c1-26(2)21-8-6-18(30-11-9-29(10-12-30)17-4-5-17)14-20(21)24(31)23-19-7-3-16(15-27)13-22(19)28-25(23)26/h3,6-8,13-14,17,28H,4-5,9-12H2,1-2H3
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n/an/a 233n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362780
PNG
(CHEMBL1940180)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCC(CC1)N1CCOCC1)C#N
Show InChI InChI=1S/C28H30N4O2/c1-28(2)23-16-20(31-9-7-19(8-10-31)32-11-13-34-14-12-32)4-6-21(23)26(33)25-22-5-3-18(17-29)15-24(22)30-27(25)28/h3-6,15-16,19,30H,7-14H2,1-2H3
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n/an/a 759n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KDR using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362787
PNG
(CHEMBL1940174)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1CCN(CC1)C1CC1)C#N
Show InChI InChI=1S/C27H27N3O/c1-27(2)22-8-4-18(17-9-11-30(12-10-17)19-5-6-19)14-21(22)25(31)24-20-7-3-16(15-28)13-23(20)29-26(24)27/h3-4,7-8,13-14,17,19,29H,5-6,9-12H2,1-2H3
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n/an/a 882n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KDR using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50362779
PNG
(CHEMBL1940181 | US9126931, 346)
Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C29H32N4O2/c1-18-14-22-23(16-25(18)33-8-6-20(7-9-33)32-10-12-35-13-11-32)29(2,3)28-26(27(22)34)21-5-4-19(17-30)15-24(21)31-28/h4-5,14-16,20,31H,6-13H2,1-3H3
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n/an/a 1.06E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KIT using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362781
PNG
(1256580-46-7 | AF802 | Alecensa | Alectinib | CH54...)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KDR using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362786
PNG
(CHEMBL1940175)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-6-4-18(17-7-9-30(10-8-17)19-14-32-15-19)12-21(22)25(31)24-20-5-3-16(13-28)11-23(20)29-26(24)27/h3-6,11-12,17,19,29H,7-10,14-15H2,1-2H3
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n/an/a 2.52E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KDR using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50362780
PNG
(CHEMBL1940180)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCC(CC1)N1CCOCC1)C#N
Show InChI InChI=1S/C28H30N4O2/c1-28(2)23-16-20(31-9-7-19(8-10-31)32-11-13-34-14-12-32)4-6-21(23)26(33)25-22-5-3-18(17-29)15-24(22)30-27(25)28/h3-6,15-16,19,30H,7-14H2,1-2H3
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n/an/a 2.99E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KIT using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362782
PNG
(CHEMBL1940179)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C29H32N4O/c1-4-19-15-22-23(16-25(19)33-12-10-32(11-13-33)20-6-5-7-20)29(2,3)28-26(27(22)34)21-9-8-18(17-30)14-24(21)31-28/h8-9,14-16,20,31H,4-7,10-13H2,1-3H3
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n/an/a 3.12E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KDR using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362783
PNG
(CHEMBL1940178)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CC1
Show InChI InChI=1S/C28H30N4O/c1-4-18-14-21-22(15-24(18)32-11-9-31(10-12-32)19-6-7-19)28(2,3)27-25(26(21)33)20-8-5-17(16-29)13-23(20)30-27/h5,8,13-15,19,30H,4,6-7,9-12H2,1-3H3
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n/an/a 4.21E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KDR using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50362787
PNG
(CHEMBL1940174)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1CCN(CC1)C1CC1)C#N
Show InChI InChI=1S/C27H27N3O/c1-27(2)22-8-4-18(17-9-11-30(12-10-17)19-5-6-19)14-21(22)25(31)24-20-7-3-16(15-28)13-23(20)29-26(24)27/h3-4,7-8,13-14,17,19,29H,5-6,9-12H2,1-2H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KIT using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
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 using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50362782
PNG
(CHEMBL1940179)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C29H32N4O/c1-4-19-15-22-23(16-25(19)33-12-10-32(11-13-33)20-6-5-7-20)29(2,3)28-26(27(22)34)21-9-8-18(17-30)14-24(21)31-28/h8-9,14-16,20,31H,4-7,10-13H2,1-3H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of MET using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50362785
PNG
(CHEMBL1940176)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)N1CCN(CC1)C1CC1)C#N
Show InChI InChI=1S/C26H26N4O/c1-26(2)21-8-6-18(30-11-9-29(10-12-30)17-4-5-17)14-20(21)24(31)23-19-7-3-16(15-27)13-22(19)28-25(23)26/h3,6-8,13-14,17,28H,4-5,9-12H2,1-2H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KIT using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
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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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KIT using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
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 using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50362786
PNG
(CHEMBL1940175)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-6-4-18(17-7-9-30(10-8-17)19-14-32-15-19)12-21(22)25(31)24-20-5-3-16(13-28)11-23(20)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 KIT using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50362782
PNG
(CHEMBL1940179)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C29H32N4O/c1-4-19-15-22-23(16-25(19)33-12-10-32(11-13-33)20-6-5-7-20)29(2,3)28-26(27(22)34)21-9-8-18(17-30)14-24(21)31-28/h8-9,14-16,20,31H,4-7,10-13H2,1-3H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KIT using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50362780
PNG
(CHEMBL1940180)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCC(CC1)N1CCOCC1)C#N
Show InChI InChI=1S/C28H30N4O2/c1-28(2)23-16-20(31-9-7-19(8-10-31)32-11-13-34-14-12-32)4-6-21(23)26(33)25-22-5-3-18(17-29)15-24(22)30-27(25)28/h3-6,15-16,19,30H,7-14H2,1-2H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of MET using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50362784
PNG
(CHEMBL1940177 | US9126931, 438)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C26H26N4O2/c1-26(2)21-6-4-17(29-7-9-30(10-8-29)18-14-32-15-18)12-20(21)24(31)23-19-5-3-16(13-27)11-22(19)28-25(23)26/h3-6,11-12,18,28H,7-10,14-15H2,1-2H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KIT using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50362781
PNG
(1256580-46-7 | AF802 | Alecensa | Alectinib | CH54...)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of MET using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362784
PNG
(CHEMBL1940177 | US9126931, 438)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C26H26N4O2/c1-26(2)21-6-4-17(29-7-9-30(10-8-29)18-14-32-15-18)12-20(21)24(31)23-19-5-3-16(13-27)11-22(19)28-25(23)26/h3-6,11-12,18,28H,7-10,14-15H2,1-2H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KDR using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50362783
PNG
(CHEMBL1940178)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CC1
Show InChI InChI=1S/C28H30N4O/c1-4-18-14-21-22(15-24(18)32-11-9-31(10-12-32)19-6-7-19)28(2,3)27-25(26(21)33)20-8-5-17(16-29)13-23(20)30-27/h5,8,13-15,19,30H,4,6-7,9-12H2,1-3H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KIT using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50362781
PNG
(1256580-46-7 | AF802 | Alecensa | Alectinib | CH54...)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of KIT using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50362787
PNG
(CHEMBL1940174)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1CCN(CC1)C1CC1)C#N
Show InChI InChI=1S/C27H27N3O/c1-27(2)22-8-4-18(17-9-11-30(12-10-17)19-5-6-19)14-21(22)25(31)24-20-7-3-16(15-28)13-23(20)29-26(24)27/h3-4,7-8,13-14,17,19,29H,5-6,9-12H2,1-2H3
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Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of MET using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50362778
PNG
(CHEMBL1940182)
Show SMILES CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C31H36N4O2/c1-4-5-21-17-24-25(18-27(21)35-10-8-22(9-11-35)34-12-14-37-15-13-34)31(2,3)30-28(29(24)36)23-7-6-20(19-32)16-26(23)33-30/h6-7,16-18,22,33H,4-5,8-15H2,1-3H3
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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 using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362778
PNG
(CHEMBL1940182)
Show SMILES CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C31H36N4O2/c1-4-5-21-17-24-25(18-27(21)35-10-8-22(9-11-35)34-12-14-37-15-13-34)31(2,3)30-28(29(24)36)23-7-6-20(19-32)16-26(23)33-30/h6-7,16-18,22,33H,4-5,8-15H2,1-3H3
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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 using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50362786
PNG
(CHEMBL1940175)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C27H27N3O2/c1-27(2)22-6-4-18(17-7-9-30(10-8-17)19-14-32-15-19)12-21(22)25(31)24-20-5-3-16(13-28)11-23(20)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+3n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of MET using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50362785
PNG
(CHEMBL1940176)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)N1CCN(CC1)C1CC1)C#N
Show InChI InChI=1S/C26H26N4O/c1-26(2)21-8-6-18(30-11-9-29(10-12-30)17-4-5-17)14-20(21)24(31)23-19-7-3-16(15-27)13-22(19)28-25(23)26/h3,6-8,13-14,17,28H,4-5,9-12H2,1-2H3
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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 using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50362784
PNG
(CHEMBL1940177 | US9126931, 438)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)N1CCN(CC1)C1COC1)C#N
Show InChI InChI=1S/C26H26N4O2/c1-26(2)21-6-4-17(29-7-9-30(10-8-29)18-14-32-15-18)12-20(21)24(31)23-19-5-3-16(13-27)11-22(19)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 using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50362778
PNG
(CHEMBL1940182)
Show SMILES CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C31H36N4O2/c1-4-5-21-17-24-25(18-27(21)35-10-8-22(9-11-35)34-12-14-37-15-13-34)31(2,3)30-28(29(24)36)23-7-6-20(19-32)16-26(23)33-30/h6-7,16-18,22,33H,4-5,8-15H2,1-3H3
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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 MET using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50362785
PNG
(CHEMBL1940176)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)N1CCN(CC1)C1CC1)C#N
Show InChI InChI=1S/C26H26N4O/c1-26(2)21-8-6-18(30-11-9-29(10-12-30)17-4-5-17)14-20(21)24(31)23-19-7-3-16(15-27)13-22(19)28-25(23)26/h3,6-8,13-14,17,28H,4-5,9-12H2,1-2H3
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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 using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50362779
PNG
(CHEMBL1940181 | US9126931, 346)
Show SMILES Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C29H32N4O2/c1-18-14-22-23(16-25(18)33-8-6-20(7-9-33)32-10-12-35-13-11-32)29(2,3)28-26(27(22)34)21-5-4-19(17-30)15-24(21)31-28/h4-5,14-16,20,31H,6-13H2,1-3H3
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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 MET using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50362783
PNG
(CHEMBL1940178)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CC1
Show InChI InChI=1S/C28H30N4O/c1-4-18-14-21-22(15-24(18)32-11-9-31(10-12-32)19-6-7-19)28(2,3)27-25(26(21)33)20-8-5-17(16-29)13-23(20)30-27/h5,8,13-15,19,30H,4,6-7,9-12H2,1-3H3
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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 MET using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP


Bioorg Med Chem 20: 1271-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.021
BindingDB Entry DOI: 10.7270/Q23B60KW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%