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4 similar compounds to monomer 4296

Compile data set for download or QSAR
Wt: 297.2
BDBM4293
Purchase
Wt: 283.2
BDBM4294
Wt: 279.2
BDBM4295
Wt: 307.3
BDBM4300

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 4293,4294,4295,4300   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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PubMed
n/an/a 370n/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 34: 1896-907 (1991)


Article DOI: 10.1021/jm00110a022
BindingDB Entry DOI: 10.7270/Q2KW5D7V
More data for this
Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 280n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay


Bioorg Med Chem 25: 2531-2544 (2017)


Article DOI: 10.1016/j.bmc.2017.01.028
BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4295
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(4-methylphenyl)ca...)
Show SMILES Cc1ccc(cc1)C(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C17H13NO3/c1-11-2-5-13(6-3-11)17(21)14(10-18)8-12-4-7-15(19)16(20)9-12/h2-9,19-20H,1H3/b14-8+
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n/an/a 880n/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 34: 1896-907 (1991)


Article DOI: 10.1021/jm00110a022
BindingDB Entry DOI: 10.7270/Q2KW5D7V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4300
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(2,4,6-trimethylph...)
Show SMILES Cc1cc(C)c(C(=O)C(=Cc2ccc(O)c(O)c2)C#N)c(C)c1
Show InChI InChI=1S/C19H17NO3/c1-11-6-12(2)18(13(3)7-11)19(23)15(10-20)8-14-4-5-16(21)17(22)9-14/h4-9,21-22H,1-3H3
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n/an/a 1.07E+4n/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 34: 1896-907 (1991)


Article DOI: 10.1021/jm00110a022
BindingDB Entry DOI: 10.7270/Q2KW5D7V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/an/an/a 4.49E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B27SRF
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 4.41E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/an/an/a 6.36E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 259n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/an/an/a 8.03E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2SJ1J25
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 9.49E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D798W4
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 7.13E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 5.59E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 2.68E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2154FH8
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 8.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 79.5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4295
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(4-methylphenyl)ca...)
Show SMILES Cc1ccc(cc1)C(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C17H13NO3/c1-11-2-5-13(6-3-11)17(21)14(10-18)8-12-4-7-15(19)16(20)9-12/h2-9,19-20H,1H3/b14-8+
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n/an/a 9n/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))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 4n/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))
BDBM4294
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(4-fluorophenyl)ca...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(F)cc2)cc1O
Show InChI InChI=1S/C16H10FNO3/c17-13-4-2-11(3-5-13)16(21)12(9-18)7-10-1-6-14(19)15(20)8-10/h1-8,19-20H/b12-7+
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n/an/a 6n/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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 61n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


J Med Chem 52: 4981-5004 (2010)


Article DOI: 10.1021/jm9002395
BindingDB Entry DOI: 10.7270/Q2P84CTD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4300
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(2,4,6-trimethylph...)
Show SMILES Cc1cc(C)c(C(=O)C(=Cc2ccc(O)c(O)c2)C#N)c(C)c1
Show InChI InChI=1S/C19H17NO3/c1-11-6-12(2)18(13(3)7-11)19(23)15(10-20)8-14-4-5-16(21)17(22)9-14/h4-9,21-22H,1-3H3
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n/an/a 1.91E+4n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity against epidermal growth factor receptor (EGFR)


J Med Chem 46: 4657-68 (2003)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4295
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(4-methylphenyl)ca...)
Show SMILES Cc1ccc(cc1)C(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C17H13NO3/c1-11-2-5-13(6-3-11)17(21)14(10-18)8-12-4-7-15(19)16(20)9-12/h2-9,19-20H,1H3/b14-8+
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n/an/a 1.51E+4n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity against epidermal growth factor receptor (EGFR)


J Med Chem 46: 4657-68 (2003)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4294
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(4-fluorophenyl)ca...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(F)cc2)cc1O
Show InChI InChI=1S/C16H10FNO3/c17-13-4-2-11(3-5-13)16(21)12(9-18)7-10-1-6-14(19)15(20)8-10/h1-8,19-20H/b12-7+
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n/an/a 5.13E+3n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity against epidermal growth factor receptor (EGFR)


J Med Chem 46: 4657-68 (2003)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity tested against protein kinase HER-2


J Med Chem 46: 4657-68 (2003)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4293
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
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n/an/a 5.01E+3n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity against epidermal growth factor receptor (EGFR)


J Med Chem 46: 4657-68 (2003)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4295
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(4-methylphenyl)ca...)
Show SMILES Cc1ccc(cc1)C(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C17H13NO3/c1-11-2-5-13(6-3-11)17(21)14(10-18)8-12-4-7-15(19)16(20)9-12/h2-9,19-20H,1H3/b14-8+
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity tested against protein kinase HER-2


J Med Chem 46: 4657-68 (2003)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4300
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(2,4,6-trimethylph...)
Show SMILES Cc1cc(C)c(C(=O)C(=Cc2ccc(O)c(O)c2)C#N)c(C)c1
Show InChI InChI=1S/C19H17NO3/c1-11-6-12(2)18(13(3)7-11)19(23)15(10-20)8-14-4-5-16(21)17(22)9-14/h4-9,21-22H,1-3H3
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n/an/a 5.01E+4n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity tested against protein kinase HER-2


J Med Chem 46: 4657-68 (2003)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4294
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(4-fluorophenyl)ca...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(F)cc2)cc1O
Show InChI InChI=1S/C16H10FNO3/c17-13-4-2-11(3-5-13)16(21)12(9-18)7-10-1-6-14(19)15(20)8-10/h1-8,19-20H/b12-7+
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n/an/a 1.29E+4n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity tested against protein kinase HER-2


J Med Chem 46: 4657-68 (2003)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4294
PNG
((2E)-3-(3,4-dihydroxyphenyl)-2-[(4-fluorophenyl)ca...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(F)cc2)cc1O
Show InChI InChI=1S/C16H10FNO3/c17-13-4-2-11(3-5-13)16(21)12(9-18)7-10-1-6-14(19)15(20)8-10/h1-8,19-20H/b12-7+
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n/an/a 560n/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 34: 1896-907 (1991)


Article DOI: 10.1021/jm00110a022
BindingDB Entry DOI: 10.7270/Q2KW5D7V
More data for this
Ligand-Target Pair