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BDBM50200534 CHEMBL3958173

SMILES: CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1

InChI Key: InChIKey=BLTNVYOBZUELAP-UHFFFAOYSA-N

Data: 13 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50200534   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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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
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
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
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 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
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
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
Platelet-derived growth factor receptor alpha


(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 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
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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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
BindingDB Entry DOI: 10.7270/Q22809JW
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
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
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
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 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
Ephrin type-A 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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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
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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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
BindingDB Entry DOI: 10.7270/Q22809JW
More data for this
Ligand-Target Pair
Receptor protein-tyrosine 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
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 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
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