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9 similar compounds to monomer 4304

Compile data set for download or QSAR
Wt: 314.7
BDBM4307
Wt: 340.3
BDBM4312
Wt: 308.3
BDBM4316
Wt: 348.2
BDBM50270678
Wt: 314.7
BDBM50292520
Wt: 322.3
BDBM50409732
Wt: 324.3
BDBM50444602
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Wt: 324.3
BDBM50444603
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Wt: 310.3
BDBM50444604
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 4307,4312,4316,50270678,50292520,50409732,50444602,50444603,50444604   
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
Kallikrein 7


(Homo sapiens (Human))
BDBM50444604
PNG
(CHEMBL3099870)
Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-
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7.00E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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7.20E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50444603
PNG
(CHEMBL3099871)
Show SMILES CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H16N2O4/c1-2-24-17-10-12(3-8-16(17)22)9-13(11-19)18(23)20-14-4-6-15(21)7-5-14/h3-10,21-22H,2H2,1H3,(H,20,23)/b13-9-
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7.50E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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1.00E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Competitive inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM50444603
PNG
(CHEMBL3099871)
Show SMILES CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H16N2O4/c1-2-24-17-10-12(3-8-16(17)22)9-13(11-19)18(23)20-14-4-6-15(21)7-5-14/h3-10,21-22H,2H2,1H3,(H,20,23)/b13-9-
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1.07E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Competitive inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM50444604
PNG
(CHEMBL3099870)
Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-
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1.12E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Competitive inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50444604
PNG
(CHEMBL3099870)
Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-
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1.29E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50444603
PNG
(CHEMBL3099871)
Show SMILES CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H16N2O4/c1-2-24-17-10-12(3-8-16(17)22)9-13(11-19)18(23)20-14-4-6-15(21)7-5-14/h3-10,21-22H,2H2,1H3,(H,20,23)/b13-9-
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1.52E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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1.64E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 14


(Homo sapiens (Human))
BDBM50444603
PNG
(CHEMBL3099871)
Show SMILES CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H16N2O4/c1-2-24-17-10-12(3-8-16(17)22)9-13(11-19)18(23)20-14-4-6-15(21)7-5-14/h3-10,21-22H,2H2,1H3,(H,20,23)/b13-9-
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n/an/a 1.01E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein14 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 14


(Homo sapiens (Human))
BDBM50444604
PNG
(CHEMBL3099870)
Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-
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n/an/a 1.06E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein14 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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n/an/a 9.00E+4n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50444603
PNG
(CHEMBL3099871)
Show SMILES CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H16N2O4/c1-2-24-17-10-12(3-8-16(17)22)9-13(11-19)18(23)20-14-4-6-15(21)7-5-14/h3-10,21-22H,2H2,1H3,(H,20,23)/b13-9-
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n/an/a 9.40E+4n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50444604
PNG
(CHEMBL3099870)
Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-
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n/an/a 1.07E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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n/an/a 1.27E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM50444603
PNG
(CHEMBL3099871)
Show SMILES CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H16N2O4/c1-2-24-17-10-12(3-8-16(17)22)9-13(11-19)18(23)20-14-4-6-15(21)7-5-14/h3-10,21-22H,2H2,1H3,(H,20,23)/b13-9-
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n/an/a 1.17E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM50444604
PNG
(CHEMBL3099870)
Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-
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n/an/a 1.31E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50409732
PNG
(CHEMBL141238)
Show SMILES Cc1cc(C)c(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(C)c1
Show InChI InChI=1S/C19H18N2O3/c1-11-6-12(2)18(13(3)7-11)21-19(24)15(10-20)8-14-4-5-16(22)17(23)9-14/h4-9,22-23H,1-3H3,(H,21,24)/b15-8+
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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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4316
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2,6-dimeth...)
Show SMILES Cc1cccc(C)c1NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C18H16N2O3/c1-11-4-3-5-12(2)17(11)20-18(23)14(10-19)8-13-6-7-15(21)16(22)9-13/h3-9,21-22H,1-2H3,(H,20,23)/b14-8+
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n/an/a 3.39E+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))
BDBM4312
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2,4-dimeth...)
Show SMILES COc1ccc(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(OC)c1
Show InChI InChI=1S/C18H16N2O5/c1-24-13-4-5-14(17(9-13)25-2)20-18(23)12(10-19)7-11-3-6-15(21)16(22)8-11/h3-9,21-22H,1-2H3,(H,20,23)/b12-7+
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n/an/a 2.51E+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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50409732
PNG
(CHEMBL141238)
Show SMILES Cc1cc(C)c(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(C)c1
Show InChI InChI=1S/C19H18N2O3/c1-11-6-12(2)18(13(3)7-11)21-19(24)15(10-20)8-14-4-5-16(22)17(23)9-14/h4-9,22-23H,1-3H3,(H,21,24)/b15-8+
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n/an/a 2.09E+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))
BDBM4307
PNG
((2E)-N-(2-chlorophenyl)-2-cyano-3-(3,4-dihydroxyph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1O
Show InChI InChI=1S/C16H11ClN2O3/c17-12-3-1-2-4-13(12)19-16(22)11(9-18)7-10-5-6-14(20)15(21)8-10/h1-8,20-21H,(H,19,22)/b11-7+
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n/an/a 5.75E+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))
BDBM4307
PNG
((2E)-N-(2-chlorophenyl)-2-cyano-3-(3,4-dihydroxyph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1O
Show InChI InChI=1S/C16H11ClN2O3/c17-12-3-1-2-4-13(12)19-16(22)11(9-18)7-10-5-6-14(20)15(21)8-10/h1-8,20-21H,(H,19,22)/b11-7+
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n/an/a 2.09E+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))
BDBM4312
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2,4-dimeth...)
Show SMILES COc1ccc(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(OC)c1
Show InChI InChI=1S/C18H16N2O5/c1-24-13-4-5-14(17(9-13)25-2)20-18(23)12(10-19)7-11-3-6-15(21)16(22)8-11/h3-9,21-22H,1-2H3,(H,20,23)/b12-7+
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n/an/a 1.66E+5n/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
Kallikrein 14


(Homo sapiens (Human))
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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n/an/a 9.90E+4n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein14 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50444604
PNG
(CHEMBL3099870)
Show SMILES COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-
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n/an/a 1.11E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50444603
PNG
(CHEMBL3099871)
Show SMILES CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H16N2O4/c1-2-24-17-10-12(3-8-16(17)22)9-13(11-19)18(23)20-14-4-6-15(21)7-5-14/h3-10,21-22H,2H2,1H3,(H,20,23)/b13-9-
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n/an/a 9.80E+4n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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n/an/a 1.20E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50292520
PNG
(CHEMBL520493 | N-(2-chlorophenyl)-2-cyano-3-(3,4-d...)
Show SMILES Oc1ccc(\C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1O
Show InChI InChI=1S/C16H11ClN2O3/c17-12-3-1-2-4-13(12)19-16(22)11(9-18)7-10-5-6-14(20)15(21)8-10/h1-8,20-21H,(H,19,22)/b11-7-
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n/an/a 1n/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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50270678
PNG
(2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-(trifluoromet...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(F)(F)F)cc1O
Show InChI InChI=1S/C17H11F3N2O3/c18-17(19,20)12-2-1-3-13(8-12)22-16(25)11(9-21)6-10-4-5-14(23)15(24)7-10/h1-8,23-24H,(H,22,25)/b11-6+
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


J Med Chem 51: 3367-77 (2008)


Article DOI: 10.1021/jm7013875
BindingDB Entry DOI: 10.7270/Q2086532
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4316
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2,6-dimeth...)
Show SMILES Cc1cccc(C)c1NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C18H16N2O3/c1-11-4-3-5-12(2)17(11)20-18(23)14(10-19)8-13-6-7-15(21)16(22)9-13/h3-9,21-22H,1-2H3,(H,20,23)/b14-8+
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n/an/a 5.10E+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 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))
BDBM4316
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2,6-dimeth...)
Show SMILES Cc1cccc(C)c1NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C18H16N2O3/c1-11-4-3-5-12(2)17(11)20-18(23)14(10-19)8-13-6-7-15(21)16(22)9-13/h3-9,21-22H,1-2H3,(H,20,23)/b14-8+
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n/an/a 1.02E+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))
BDBM4307
PNG
((2E)-N-(2-chlorophenyl)-2-cyano-3-(3,4-dihydroxyph...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1O
Show InChI InChI=1S/C16H11ClN2O3/c17-12-3-1-2-4-13(12)19-16(22)11(9-18)7-10-5-6-14(20)15(21)8-10/h1-8,20-21H,(H,19,22)/b11-7+
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n/an/a 1.10E+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 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))
BDBM4312
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2,4-dimeth...)
Show SMILES COc1ccc(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(OC)c1
Show InChI InChI=1S/C18H16N2O5/c1-24-13-4-5-14(17(9-13)25-2)20-18(23)12(10-19)7-11-3-6-15(21)16(22)8-11/h3-9,21-22H,1-2H3,(H,20,23)/b12-7+
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n/an/a 1.70E+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 34: 1896-907 (1991)


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