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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
PDB

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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
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
PDB

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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
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
PDB

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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
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
PDB

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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
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
PDB

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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
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
PDB

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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
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor 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
PDB

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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 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
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
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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
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
PDB
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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 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
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
PDB
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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 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
More data for this
Ligand-Target Pair
Ephrin 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
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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
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-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
PDB
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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
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
KEGG

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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 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
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
PDB
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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 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
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50200534
PNG
(CHEMBL3958173)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
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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 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
More data for this
Ligand-Target Pair
Proto-oncogene 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
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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 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
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
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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
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
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
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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
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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CHEMBL
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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
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
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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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%