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PubMed code 27131066

Compile data set for download or QSAR
Found 36 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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal GST-tagged recombinant human RET (658 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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n/an/a 3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal GST-tagged recombinant human RET (658 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 3.40n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant human ALK (1058 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubat...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 3.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK C1156Y mutant (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 3.90n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK L1196M mutant (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(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 4.80n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human RET using Biotin-EGPWLEEEEEAYGWMDF as substrate incubated for 60 mins by TR-FRET assay


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 7.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK R1275Q mutant (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 8.10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK G1269A mutant (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 8.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK F1174L mutant (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human RET V804M mutant (658 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substr...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK expressed in human NCI-H3122 cells assessed as cell growth inhibition after 72 hrs by SRB/CCK-8 assay


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
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 19n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK expressed in human NCI-H3122 cells assessed as cell growth inhibition after 72 hrs by SRB/CCK-8 assay


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant human IGF-1R (959 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incub...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 38n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK T1151ins mutant (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens)
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant LTK (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50187715
PNG
(CHEMBL3735386)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1C1=CCN(CC2CCOCC2)CC1
Show InChI InChI=1S/C32H35N3O2/c1-4-22-16-26-27(17-25(22)23-7-11-35(12-8-23)19-20-9-13-37-14-10-20)32(2,3)31-29(30(26)36)24-6-5-21(18-33)15-28(24)34-31/h5-7,15-17,20,34H,4,8-14,19H2,1-3H3
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n/an/a 49n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK expressed in human NCI-H3122 cells assessed as cell growth inhibition after 72 hrs by SRB/CCK-8 assay


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant human PDGFRbeta (557 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate in...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 72n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant human TYRO3 (451 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incuba...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 75n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human c-Src expressed in insect Sf9 cells using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 86n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human FLT3 (564 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubate...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 93n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant human Ron (983 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubate...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 104n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant human KDR (790 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubate...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50187714
PNG
(CHEMBL3736388)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1C1=CCN(CC1)C(=O)C1CCOCC1
Show InChI InChI=1S/C32H33N3O3/c1-4-20-16-25-26(17-24(20)21-7-11-35(12-8-21)31(37)22-9-13-38-14-10-22)32(2,3)30-28(29(25)36)23-6-5-19(18-33)15-27(23)34-30/h5-7,15-17,22,34H,4,8-14H2,1-3H3
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n/an/a 126n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK expressed in human NCI-H3122 cells assessed as cell growth inhibition after 72 hrs by SRB/CCK-8 assay


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 159n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human FLT1 (783 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubate...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 170n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AXL using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (HER4)


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 213n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant human ErbB4 (709 to 991 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50158419
PNG
(CHEMBL3734798)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1ccn(n1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-15(22)2-3-16(24)20(19)23)30-18-10-13(11-27-21(18)25)17-6-9-29(28-17)14-4-7-26-8-5-14/h2-3,6,9-12,14,26H,4-5,7-8H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 261n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK expressed in human NCI-H3122 cells assessed as cell growth inhibition after 72 hrs by SRB/CCK-8 assay


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 350n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human EGFR T790M/L858R double mutant (696 residues) expressed in insect Sf21 cells using poly(Glu,Tyr...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a 402n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant human PDGFRalpha (550 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate i...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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n/an/a 811n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human RET V804M mutant (658 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substr...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ErbB2 using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human c-Kit (544 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incubat...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant ROS1 (unknown origin) using poly(Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Mus musculus)
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant mouse ABL (27 to 1123 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate i...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged recombinant human FGFR1 (456 to 765 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate ...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50187716
PNG
(CHEMBL3735648)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O2/c1-30(2)25-16-22(21-7-11-33(12-8-21)18-19-9-13-35-14-10-19)4-6-23(25)28(34)27-24-5-3-20(17-31)15-26(24)32-29(27)30/h3-6,15-16,19,21,32H,7-14,18H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged recombinant human c-Met (974 residues) expressed in insect Sf21 cells using poly(Glu,Tyr)4:1 as substrate incuba...


Eur J Med Chem 118: 244-9 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.046
BindingDB Entry DOI: 10.7270/Q2Q81G02
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%