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PubMed code 27769623

Compile data set for download or QSAR
Found 21 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))
BDBM50200539
PNG
(CHEMBL3925858)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCNCC2)CC1
Show InChI InChI=1S/C31H37N5O2/c1-4-21-16-23-24(17-26(21)36-13-11-35(12-14-36)19-31(38)7-9-33-10-8-31)30(2,3)29-27(28(23)37)22-6-5-20(18-32)15-25(22)34-29/h5-6,15-17,33-34,38H,4,7-14,19H2,1-3H3
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n/an/a 1.40n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type ALK (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-4-21-16-23-24(17-26(21)35-11-9-34(10-12-35)19-31(37)7-13-38-14-8-31)30(2,3)29-27(28(23)36)22-6-5-20(18-32)15-25(22)33-29/h5-6,15-17,33,37H,4,7-14,19H2,1-3H3
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n/an/a 1.5n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type ALK (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50200536
PNG
(CHEMBL3897774)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CC(C)OC(C)C2)CC1
Show InChI InChI=1S/C33H40N4O3/c1-6-23-14-25-26(32(4,5)31-29(30(25)38)24-8-7-22(18-34)13-27(24)35-31)15-28(23)37-11-9-36(10-12-37)19-33(39)16-20(2)40-21(3)17-33/h7-8,13-15,20-21,35,39H,6,9-12,16-17,19H2,1-5H3
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n/an/a 2.40n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type ALK (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50200535
PNG
(CHEMBL3913823)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCCCC2)CC1
Show InChI InChI=1S/C32H38N4O2/c1-4-22-17-24-25(18-27(22)36-14-12-35(13-15-36)20-32(38)10-6-5-7-11-32)31(2,3)30-28(29(24)37)23-9-8-21(19-33)16-26(23)34-30/h8-9,16-18,34,38H,4-7,10-15,20H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type ALK (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50200537
PNG
(CHEMBL3736267)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2(O)CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O3/c1-29(2)24-16-21(20-7-11-33(12-8-20)18-30(35)9-13-36-14-10-30)4-6-22(24)27(34)26-23-5-3-19(17-31)15-25(23)32-28(26)29/h3-6,15-16,20,32,35H,7-14,18H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type ALK (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50200538
PNG
(CHEMBL3934754)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC(O)(CCC(O)=O)CC(O)=O)CC1
Show InChI InChI=1S/C32H36N4O6/c1-4-20-14-22-23(31(2,3)30-28(29(22)41)21-6-5-19(17-33)13-24(21)34-30)15-25(20)36-11-9-35(10-12-36)18-32(42,16-27(39)40)8-7-26(37)38/h5-6,13-15,34,42H,4,7-12,16,18H2,1-3H3,(H,37,38)(H,39,40)
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n/an/a 17n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant wild type ALK (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-4-21-16-23-24(17-26(21)35-11-9-34(10-12-35)19-31(37)7-13-38-14-8-31)30(2,3)29-27(28(23)36)22-6-5-20(18-32)15-25(22)33-29/h5-6,15-17,33,37H,4,7-14,19H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant ErbB2 (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens)
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-4-21-16-23-24(17-26(21)35-11-9-34(10-12-35)19-31(37)7-13-38-14-8-31)30(2,3)29-27(28(23)36)22-6-5-20(18-32)15-25(22)33-29/h5-6,15-17,33,37H,4,7-14,19H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant EPHA2 (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-4-21-16-23-24(17-26(21)35-11-9-34(10-12-35)19-31(37)7-13-38-14-8-31)30(2,3)29-27(28(23)36)22-6-5-20(18-32)15-25(22)33-29/h5-6,15-17,33,37H,4,7-14,19H2,1-3H3
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Ocean University of China

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-4-21-16-23-24(17-26(21)35-11-9-34(10-12-35)19-31(37)7-13-38-14-8-31)30(2,3)29-27(28(23)36)22-6-5-20(18-32)15-25(22)33-29/h5-6,15-17,33,37H,4,7-14,19H2,1-3H3
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Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDGFR-alpha (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)


(Homo sapiens (Human))
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-4-21-16-23-24(17-26(21)35-11-9-34(10-12-35)19-31(37)7-13-38-14-8-31)30(2,3)29-27(28(23)36)22-6-5-20(18-32)15-25(22)33-29/h5-6,15-17,33,37H,4,7-14,19H2,1-3H3
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Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Kit (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-4-21-16-23-24(17-26(21)35-11-9-34(10-12-35)19-31(37)7-13-38-14-8-31)30(2,3)29-27(28(23)36)22-6-5-20(18-32)15-25(22)33-29/h5-6,15-17,33,37H,4,7-14,19H2,1-3H3
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Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDGFR-beta (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-4-21-16-23-24(17-26(21)35-11-9-34(10-12-35)19-31(37)7-13-38-14-8-31)30(2,3)29-27(28(23)36)22-6-5-20(18-32)15-25(22)33-29/h5-6,15-17,33,37H,4,7-14,19H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant IGF1R (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-4-21-16-23-24(17-26(21)35-11-9-34(10-12-35)19-31(37)7-13-38-14-8-31)30(2,3)29-27(28(23)36)22-6-5-20(18-32)15-25(22)33-29/h5-6,15-17,33,37H,4,7-14,19H2,1-3H3
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Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Src (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-4-21-16-23-24(17-26(21)35-11-9-34(10-12-35)19-31(37)7-13-38-14-8-31)30(2,3)29-27(28(23)36)22-6-5-20(18-32)15-25(22)33-29/h5-6,15-17,33,37H,4,7-14,19H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-4-21-16-23-24(17-26(21)35-11-9-34(10-12-35)19-31(37)7-13-38-14-8-31)30(2,3)29-27(28(23)36)22-6-5-20(18-32)15-25(22)33-29/h5-6,15-17,33,37H,4,7-14,19H2,1-3H3
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Ocean University of China

Curated by ChEMBL


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


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-4-21-16-23-24(17-26(21)35-11-9-34(10-12-35)19-31(37)7-13-38-14-8-31)30(2,3)29-27(28(23)36)22-6-5-20(18-32)15-25(22)33-29/h5-6,15-17,33,37H,4,7-14,19H2,1-3H3
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Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant ErbB4 (unknown origin) using poly (Glu,Tyr)4:1 as substrate after 60 mins by ELISA


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
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 2.65E+3n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50200537
PNG
(CHEMBL3736267)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2(O)CCOCC2)CC1)C#N
Show InChI InChI=1S/C30H33N3O3/c1-29(2)24-16-21(20-7-11-33(12-8-20)18-30(35)9-13-36-14-10-30)4-6-22(24)27(34)26-23-5-3-19(17-31)15-25(23)32-28(26)29/h3-6,15-16,20,32,35H,7-14,18H2,1-2H3
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n/an/a>1.23E+4n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
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>3.00E+4n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-4-21-16-23-24(17-26(21)35-11-9-34(10-12-35)19-31(37)7-13-38-14-8-31)30(2,3)29-27(28(23)36)22-6-5-20(18-32)15-25(22)33-29/h5-6,15-17,33,37H,4,7-14,19H2,1-3H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 26: 5399-5402 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.039
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%