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2 similar compounds to monomer 4364

Compile data set for download or QSAR
Wt: 252.2
BDBM4366
Wt: 268.2
BDBM4367

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 4366,4367   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4366
PNG
((3Z)-2-amino-3-[(3,4-dihydroxyphenyl)methylidene]p...)
Show SMILES Oc1ccc(C=C(C#N)C(=N)C(C#N)C#N)cc1O
Show InChI InChI=1S/C13H8N4O2/c14-5-9(13(17)10(6-15)7-16)3-8-1-2-11(18)12(19)4-8/h1-4,10,17-19H
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Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Hebrew University of Jerusalem



Assay Description
The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.


J Med Chem 32: 2344-52 (1989)


Article DOI: 10.1021/jm00130a020
BindingDB Entry DOI: 10.7270/Q2G44NHF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4367
PNG
((3Z)-2-amino-3-[(3,4,5-trihydroxyphenyl)methyliden...)
Show SMILES Oc1cc(C=C(C#N)C(=N)C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C13H8N4O3/c14-4-8(12(17)9(5-15)6-16)1-7-2-10(18)13(20)11(19)3-7/h1-3,9,17-20H
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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Hebrew University of Jerusalem



Assay Description
The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.


J Med Chem 32: 2344-52 (1989)


Article DOI: 10.1021/jm00130a020
BindingDB Entry DOI: 10.7270/Q2G44NHF
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM4367
PNG
((3Z)-2-amino-3-[(3,4,5-trihydroxyphenyl)methyliden...)
Show SMILES Oc1cc(C=C(C#N)C(=N)C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C13H8N4O3/c14-4-8(12(17)9(5-15)6-16)1-7-2-10(18)13(20)11(19)3-7/h1-3,9,17-20H
PDB
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Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against FGFR1 kinase


Bioorg Med Chem Lett 16: 737-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.115
BindingDB Entry DOI: 10.7270/Q2SF2VQR
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))
BDBM4367
PNG
((3Z)-2-amino-3-[(3,4,5-trihydroxyphenyl)methyliden...)
Show SMILES Oc1cc(C=C(C#N)C(=N)C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C13H8N4O3/c14-4-8(12(17)9(5-15)6-16)1-7-2-10(18)13(20)11(19)3-7/h1-3,9,17-20H
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PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2 kinase


Bioorg Med Chem Lett 16: 737-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.115
BindingDB Entry DOI: 10.7270/Q2SF2VQR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4367
PNG
((3Z)-2-amino-3-[(3,4,5-trihydroxyphenyl)methyliden...)
Show SMILES Oc1cc(C=C(C#N)C(=N)C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C13H8N4O3/c14-4-8(12(17)9(5-15)6-16)1-7-2-10(18)13(20)11(19)3-7/h1-3,9,17-20H
PDB
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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem 17: 1079-87 (2009)


Article DOI: 10.1016/j.bmc.2008.02.046
BindingDB Entry DOI: 10.7270/Q2M046C4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4367
PNG
((3Z)-2-amino-3-[(3,4,5-trihydroxyphenyl)methyliden...)
Show SMILES Oc1cc(C=C(C#N)C(=N)C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C13H8N4O3/c14-4-8(12(17)9(5-15)6-16)1-7-2-10(18)13(20)11(19)3-7/h1-3,9,17-20H
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against EGFR kinase


Bioorg Med Chem Lett 16: 737-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.115
BindingDB Entry DOI: 10.7270/Q2SF2VQR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4367
PNG
((3Z)-2-amino-3-[(3,4,5-trihydroxyphenyl)methyliden...)
Show SMILES Oc1cc(C=C(C#N)C(=N)C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C13H8N4O3/c14-4-8(12(17)9(5-15)6-16)1-7-2-10(18)13(20)11(19)3-7/h1-3,9,17-20H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4366
PNG
((3Z)-2-amino-3-[(3,4-dihydroxyphenyl)methylidene]p...)
Show SMILES Oc1ccc(C=C(C#N)C(=N)C(C#N)C#N)cc1O
Show InChI InChI=1S/C13H8N4O2/c14-5-9(13(17)10(6-15)7-16)3-8-1-2-11(18)12(19)4-8/h1-4,10,17-19H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4367
PNG
((3Z)-2-amino-3-[(3,4,5-trihydroxyphenyl)methyliden...)
Show SMILES Oc1cc(C=C(C#N)C(=N)C(C#N)C#N)cc(O)c1O
Show InChI InChI=1S/C13H8N4O3/c14-4-8(12(17)9(5-15)6-16)1-7-2-10(18)13(20)11(19)3-7/h1-3,9,17-20H
PDB
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Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against PDGFRbeta kinase


Bioorg Med Chem Lett 16: 737-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.115
BindingDB Entry DOI: 10.7270/Q2SF2VQR
More data for this
Ligand-Target Pair