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PubMed code 23414235

Compile data set for download or QSAR
Found 12 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
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))		BDBM50428367
PNG
(CHEMBL2332119 | Vegfrecine)
Show SMILES NC(=O)C1=C(N)C(=O)C=C(Nc2ccccc2O)C1=O |c:3,t:8|
Show InChI InChI=1S/C13H11N3O4/c14-11-9(18)5-7(12(19)10(11)13(15)20)16-6-3-1-2-4-8(6)17/h1-5,16-17H,14H2,(H2,15,20)
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n/an/a 1.80n/an/an/an/an/an/a



Institute of Microbial Chemistry (BIKAKEN)

Curated by ChEMBL


Assay Description
Inhibition of Flt4 (unknown origin) after 20 mins by scintillation counting

J Nat Prod 76: 715-9 (2013)


Article DOI: 10.1021/np300535c
BindingDB Entry DOI: 10.7270/Q2JQ12BH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50428367
PNG
(CHEMBL2332119 | Vegfrecine)
Show SMILES NC(=O)C1=C(N)C(=O)C=C(Nc2ccccc2O)C1=O |c:3,t:8|
Show InChI InChI=1S/C13H11N3O4/c14-11-9(18)5-7(12(19)10(11)13(15)20)16-6-3-1-2-4-8(6)17/h1-5,16-17H,14H2,(H2,15,20)
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n/an/a 11n/an/an/an/an/an/a



Institute of Microbial Chemistry (BIKAKEN)

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) after 20 mins by scintillation counting

J Nat Prod 76: 715-9 (2013)


Article DOI: 10.1021/np300535c
BindingDB Entry DOI: 10.7270/Q2JQ12BH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))		BDBM50428367
PNG
(CHEMBL2332119 | Vegfrecine)
Show SMILES NC(=O)C1=C(N)C(=O)C=C(Nc2ccccc2O)C1=O |c:3,t:8|
Show InChI InChI=1S/C13H11N3O4/c14-11-9(18)5-7(12(19)10(11)13(15)20)16-6-3-1-2-4-8(6)17/h1-5,16-17H,14H2,(H2,15,20)
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n/an/a 18n/an/an/an/an/an/a



Institute of Microbial Chemistry (BIKAKEN)

Curated by ChEMBL


Assay Description
Inhibition of GST-Flt1 kinase domain (unknown origin) expressed in baculovirus infected Sf9 cells after 20 mins by scintillation counting

J Nat Prod 76: 715-9 (2013)


Article DOI: 10.1021/np300535c
BindingDB Entry DOI: 10.7270/Q2JQ12BH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))		BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 200n/an/an/an/an/an/a



Institute of Microbial Chemistry (BIKAKEN)

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-alpha (unknown origin) after 20 mins by scintillation counting

J Nat Prod 76: 715-9 (2013)


Article DOI: 10.1021/np300535c
BindingDB Entry DOI: 10.7270/Q2JQ12BH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 400n/an/an/an/an/an/a



Institute of Microbial Chemistry (BIKAKEN)

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta (unknown origin) after 20 mins by scintillation counting

J Nat Prod 76: 715-9 (2013)


Article DOI: 10.1021/np300535c
BindingDB Entry DOI: 10.7270/Q2JQ12BH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))		BDBM50428367
PNG
(CHEMBL2332119 | Vegfrecine)
Show SMILES NC(=O)C1=C(N)C(=O)C=C(Nc2ccccc2O)C1=O |c:3,t:8|
Show InChI InChI=1S/C13H11N3O4/c14-11-9(18)5-7(12(19)10(11)13(15)20)16-6-3-1-2-4-8(6)17/h1-5,16-17H,14H2,(H2,15,20)
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n/an/a 480n/an/an/an/an/an/a



Institute of Microbial Chemistry (BIKAKEN)

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta (unknown origin) after 20 mins by scintillation counting

J Nat Prod 76: 715-9 (2013)


Article DOI: 10.1021/np300535c
BindingDB Entry DOI: 10.7270/Q2JQ12BH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))		BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 500n/an/an/an/an/an/a



Institute of Microbial Chemistry (BIKAKEN)

Curated by ChEMBL


Assay Description
Inhibition of Flt4 (unknown origin) after 20 mins by scintillation counting

J Nat Prod 76: 715-9 (2013)


Article DOI: 10.1021/np300535c
BindingDB Entry DOI: 10.7270/Q2JQ12BH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institute of Microbial Chemistry (BIKAKEN)

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) after 20 mins by scintillation counting

J Nat Prod 76: 715-9 (2013)


Article DOI: 10.1021/np300535c
BindingDB Entry DOI: 10.7270/Q2JQ12BH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50428367
PNG
(CHEMBL2332119 | Vegfrecine)
Show SMILES NC(=O)C1=C(N)C(=O)C=C(Nc2ccccc2O)C1=O |c:3,t:8|
Show InChI InChI=1S/C13H11N3O4/c14-11-9(18)5-7(12(19)10(11)13(15)20)16-6-3-1-2-4-8(6)17/h1-5,16-17H,14H2,(H2,15,20)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Institute of Microbial Chemistry (BIKAKEN)

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) after 20 mins by scintillation counting

J Nat Prod 76: 715-9 (2013)


Article DOI: 10.1021/np300535c
BindingDB Entry DOI: 10.7270/Q2JQ12BH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))		BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Institute of Microbial Chemistry (BIKAKEN)

Curated by ChEMBL


Assay Description
Inhibition of GST-Flt1 kinase domain (unknown origin) expressed in baculovirus infected Sf9 cells after 20 mins by scintillation counting

J Nat Prod 76: 715-9 (2013)


Article DOI: 10.1021/np300535c
BindingDB Entry DOI: 10.7270/Q2JQ12BH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))		BDBM50428367
PNG
(CHEMBL2332119 | Vegfrecine)
Show SMILES NC(=O)C1=C(N)C(=O)C=C(Nc2ccccc2O)C1=O |c:3,t:8|
Show InChI InChI=1S/C13H11N3O4/c14-11-9(18)5-7(12(19)10(11)13(15)20)16-6-3-1-2-4-8(6)17/h1-5,16-17H,14H2,(H2,15,20)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Institute of Microbial Chemistry (BIKAKEN)

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-alpha (unknown origin) after 20 mins by scintillation counting

J Nat Prod 76: 715-9 (2013)


Article DOI: 10.1021/np300535c
BindingDB Entry DOI: 10.7270/Q2JQ12BH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Microbial Chemistry (BIKAKEN)

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) after 20 mins by scintillation counting

J Nat Prod 76: 715-9 (2013)


Article DOI: 10.1021/np300535c
BindingDB Entry DOI: 10.7270/Q2JQ12BH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%