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15 similar compounds to monomer 17023

Compile data set for download or QSAR
Wt: 270.2
BDBM10075
Wt: 332.3
BDBM14649
Wt: 224.2
BDBM17018
Wt: 226.2
BDBM17020
Wt: 226.2
BDBM17021
Wt: 226.2
BDBM17022
Wt: 210.2
BDBM17015
Wt: 240.2
BDBM17024
Wt: 240.2
BDBM17025
Wt: 240.2
BDBM17026
Wt: 254.2
BDBM17027
Wt: 254.2
BDBM17028
Wt: 240.2
BDBM17029
Wt: 210.2
BDBM50375638
Purchase
Wt: 316.3
BDBM50414081

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 10075,14649,17018,17020,17021,17022,17015,17024,17025,17026,17027,17028,17029,50375638,50414081   
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
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM14649
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-2-...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h2-11,21,23H,1H3,(H,22,24)/b16-11-
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32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50414081
PNG
(CHEMBL560150)
Show SMILES Cc1cc(O)ccc1-c1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N2O2/c1-12-9-15(23)5-7-16(12)13-4-6-17-18(11-14-3-2-8-21-14)20(24)22-19(17)10-13/h2-11,21,23H,1H3,(H,22,24)/b18-11-
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158n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a 1.20E+3n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The full-length cFMS cytoplasmic domain (FMS.538-972.6His) or chimera was incubated with compound in reaction buffer. Control reactions were run in e...


J Biol Chem 282: 4085-93 (2007)


Article DOI: 10.1074/jbc.M608182200
BindingDB Entry DOI: 10.7270/Q2NK3C8N
More data for this
Ligand-Target Pair
cFMS -Tie-2 Chimera


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a 1.30E+3n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The full-length cFMS cytoplasmic domain (FMS.538-972.6His) or chimera was incubated with compound in reaction buffer. Control reactions were run in e...


J Biol Chem 282: 4085-93 (2007)


Article DOI: 10.1074/jbc.M608182200
BindingDB Entry DOI: 10.7270/Q2NK3C8N
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a 1.40E+3n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
The full-length cFMS cytoplasmic domain (FMS.538-972.6His) or chimera was incubated with compound in reaction buffer. Control reactions were run in e...


J Biol Chem 282: 4085-93 (2007)


Article DOI: 10.1074/jbc.M608182200
BindingDB Entry DOI: 10.7270/Q2NK3C8N
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a 1.80E+3n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM17018
PNG
((3Z)-7-methyl-3-(1H-pyrrol-2-ylmethylidene)-2,3-di...)
Show SMILES Cc1cccc2\C(=C\c3ccc[nH]3)C(=O)Nc12
Show InChI InChI=1S/C14H12N2O/c1-9-4-2-6-11-12(14(17)16-13(9)11)8-10-5-3-7-15-10/h2-8,15H,1H3,(H,16,17)/b12-8-
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n/an/a>2.60E+4n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM17020
PNG
((3Z)-5-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-2,3-d...)
Show SMILES Oc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C13H10N2O2/c16-9-3-4-12-10(7-9)11(13(17)15-12)6-8-2-1-5-14-8/h1-7,14,16H,(H,15,17)/b11-6-
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n/an/a 340n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM17021
PNG
((3Z)-6-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-2,3-d...)
Show SMILES Oc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C13H10N2O2/c16-9-3-4-10-11(6-8-2-1-5-14-8)13(17)15-12(10)7-9/h1-7,14,16H,(H,15,17)/b11-6-
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n/an/a 900n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM17022
PNG
((3Z)-7-hydroxy-3-(1H-pyrrol-2-ylmethylidene)-2,3-d...)
Show SMILES Oc1cccc2\C(=C\c3ccc[nH]3)C(=O)Nc12
Show InChI InChI=1S/C13H10N2O2/c16-11-5-1-4-9-10(13(17)15-12(9)11)7-8-3-2-6-14-8/h1-7,14,16H,(H,15,17)/b10-7-
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n/an/a>2.60E+4n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM17024
PNG
((3Z)-5-hydroxy-3-[(3-methyl-1H-pyrrol-2-yl)methyli...)
Show SMILES Cc1cc[nH]c1\C=C1/C(=O)Nc2ccc(O)cc12
Show InChI InChI=1S/C14H12N2O2/c1-8-4-5-15-13(8)7-11-10-6-9(17)2-3-12(10)16-14(11)18/h2-7,15,17H,1H3,(H,16,18)/b11-7-
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n/an/a 280n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM17025
PNG
((3Z)-5-hydroxy-3-[(4-methyl-1H-pyrrol-2-yl)methyli...)
Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccc(O)cc23)c1
Show InChI InChI=1S/C14H12N2O2/c1-8-4-9(15-7-8)5-12-11-6-10(17)2-3-13(11)16-14(12)18/h2-7,15,17H,1H3,(H,16,18)/b12-5-
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n/an/a 280n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM17026
PNG
((3Z)-5-hydroxy-3-[(5-methyl-1H-pyrrol-2-yl)methyli...)
Show SMILES Cc1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
Show InChI InChI=1S/C14H12N2O2/c1-8-2-3-9(15-8)6-12-11-7-10(17)4-5-13(11)16-14(12)18/h2-7,15,17H,1H3,(H,16,18)/b12-6-
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n/an/a 680n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM17027
PNG
((3Z)-3-[(5-ethyl-1H-pyrrol-2-yl)methylidene]-5-hyd...)
Show SMILES CCc1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
Show InChI InChI=1S/C15H14N2O2/c1-2-9-3-4-10(16-9)7-13-12-8-11(18)5-6-14(12)17-15(13)19/h3-8,16,18H,2H2,1H3,(H,17,19)/b13-7-
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n/an/a 2.30E+3n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM17028
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
Show InChI InChI=1S/C15H14N2O2/c1-8-5-9(2)16-14(8)7-12-11-6-10(18)3-4-13(11)17-15(12)19/h3-7,16,18H,1-2H3,(H,17,19)/b12-7-
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n/an/a 1.10E+3n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM17029
PNG
((3Z)-5-methoxy-3-(1H-pyrrol-2-ylmethylidene)-2,3-d...)
Show SMILES COc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C14H12N2O2/c1-18-10-4-5-13-11(8-10)12(14(17)16-13)7-9-3-2-6-15-9/h2-8,15H,1H3,(H,16,17)/b12-7-
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n/an/a 580n/an/an/an/a7.222



Berlex Biosciences



Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...


Bioorg Med Chem Lett 17: 3814-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.071
BindingDB Entry DOI: 10.7270/Q25Q4TBB
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50375638
PNG
(CHEMBL101797)
Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8+
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of ATM


Proc Natl Acad Sci U S A 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Mus musculus)
BDBM50375638
PNG
(CHEMBL101797)
Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8+
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n/an/a 389n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1)


J Med Chem 43: 3020-32 (2000)


Article DOI: 10.1021/jm990609e
BindingDB Entry DOI: 10.7270/Q2HM59P2
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a 1.20E+4n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Test concentration required to achieve 50% inhibition of tyrosine phosphorylation on human Platelet-derived growth factor receptor beta (PDGF RTK).


J Med Chem 41: 2588-603 (1998)


Article DOI: 10.1021/jm980123i
BindingDB Entry DOI: 10.7270/Q2G73CTT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Mus musculus)
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a 390n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition of tyrosine phosphorylation on murine VEGF receptor (FLK-1 RTK).


J Med Chem 41: 2588-603 (1998)


Article DOI: 10.1021/jm980123i
BindingDB Entry DOI: 10.7270/Q2G73CTT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a>1.00E+5n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition of tyrosine phosphorylation on human Epidermal growth factor receptor (EGF RTK).


J Med Chem 41: 2588-603 (1998)


Article DOI: 10.1021/jm980123i
BindingDB Entry DOI: 10.7270/Q2G73CTT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a>1.00E+5n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition of tyrosine phosphorylation on human Her-2 receptor tyrosine kinase (HER-2 RTK)


J Med Chem 41: 2588-603 (1998)


Article DOI: 10.1021/jm980123i
BindingDB Entry DOI: 10.7270/Q2G73CTT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a>1.00E+5n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition of tyrosine phosphorylation on human Insulin-like growth factor I receptor


J Med Chem 41: 2588-603 (1998)


Article DOI: 10.1021/jm980123i
BindingDB Entry DOI: 10.7270/Q2G73CTT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM14649
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-2-...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h2-11,21,23H,1H3,(H,22,24)/b16-11-
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n/an/a 7n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins


Bioorg Med Chem Lett 20: 5065-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a 900n/an/an/an/an/an/a



Aventis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00657-7
BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a 140n/an/an/an/an/an/a



Leo Pharma A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of KDR


J Med Chem 48: 5412-4 (2005)


Article DOI: 10.1021/jm0504151
BindingDB Entry DOI: 10.7270/Q2319VD1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM17028
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
Show InChI InChI=1S/C15H14N2O2/c1-8-5-9(2)16-14(8)7-12-11-6-10(18)3-4-13(11)17-15(12)19/h3-7,16,18H,1-2H3,(H,17,19)/b12-7-
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n/an/a 100n/an/an/an/an/an/a



Leo Pharma A/S

Curated by ChEMBL


Assay Description
In vitro inhibition of KDR


J Med Chem 48: 5412-4 (2005)


Article DOI: 10.1021/jm0504151
BindingDB Entry DOI: 10.7270/Q2319VD1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B (STK17B)


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/an/a 353n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human DRAK2


J Med Chem 51: 7898-914 (2008)


Article DOI: 10.1021/jm8011036
BindingDB Entry DOI: 10.7270/Q2WS8T4C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SRPK1


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/an/a 361n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human SRPK1


J Med Chem 51: 7898-914 (2008)


Article DOI: 10.1021/jm8011036
BindingDB Entry DOI: 10.7270/Q2WS8T4C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50375638
PNG
(CHEMBL101797)
Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8+
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n/an/a 14n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Syk


Proc Natl Acad Sci U S A 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50375638
PNG
(CHEMBL101797)
Show SMILES O=C1Nc2ccccc2\C1=C/c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8+
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n/an/a 390n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Proc Natl Acad Sci U S A 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a 350n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ABL by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of ALK by ELISA-based kinase assay


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a 460n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells


Bioorg Med Chem 18: 1482-96 (2010)


Article DOI: 10.1016/j.bmc.2010.01.011
BindingDB Entry DOI: 10.7270/Q2B56KPQ
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10075
PNG
((3Z)-5-methoxy-3-[(3-methoxy-1H-pyrrol-2-yl)methyl...)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(OC)cc12
Show InChI InChI=1S/C15H14N2O3/c1-19-9-3-4-12-10(7-9)11(15(18)17-12)8-13-14(20-2)5-6-16-13/h3-8,16H,1-2H3,(H,17,18)/b11-8-
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n/an/a 209n/an/an/an/a7.522



Hoffmann-La Roche Inc



Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma...


Bioorg Med Chem 11: 1873-81 (2003)


Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM14649
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-2-...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h2-11,21,23H,1H3,(H,22,24)/b16-11-
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n/an/a 7n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


Bioorg Med Chem Lett 16: 421-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.064
BindingDB Entry DOI: 10.7270/Q22J694J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)