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BDBM50192858 CHEMBL3358966

SMILES: COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12

InChI Key: InChIKey=CGXHFSJDSWAEMT-UHFFFAOYSA-N

Data: 25 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 25 hits for monomerid = 50192858   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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PubMed
n/an/a 500n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ARK5


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B using Tetra(LRRWSLG) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COT


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using histone H1 substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERBB2 using poly(Glu,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3 using poly(Glu,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF1R using poly(Glu,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EPHB4 using poly(Glu,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PLK1 using Casein substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a 3.60E+4n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant INSR using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AKT1 using GSK3/14-27 substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A using Tetra(LRRWSLG) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-RAF-VE using MEK1 KM substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2A1 using Casein substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SAK


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR using poly(Glu,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a 900n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human c-KiT


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 using poly(Glu,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/Cyclin D1 using b-CTF substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAK using poly(Glu,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MET using poly(Ala,Glu,Lys,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SRC using poly(Glu,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50192858
PNG
(CHEMBL3358966)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H19N3O4/c1-26-17-8-12(9-18(27-2)20(17)28-3)19-21(25)23-11-16(24-19)14-10-22-15-7-5-4-6-13(14)15/h4-11,22H,1-3H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Christian-Albrechts-University of Kiel

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TIE2 using poly(Glu,Tyr) substrate


J Med Chem 58: 170-82 (2015)


Article DOI: 10.1021/jm500373x
BindingDB Entry DOI: 10.7270/Q2ZG6V0R
More data for this
Ligand-Target Pair