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BDBM50065308 (Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-yl)methylidenyl]indolin-2-one::(Z)-ethyl 2,4-dimethyl-5-((2-oxoindolin-3-ylidene)methyl)-1H-pyrrole-3-carboxylate::2,4-Dimethyl-5-[2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrole-3-carboxylic acid ethyl ester::CHEMBL86943

SMILES: CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C

InChI Key: InChIKey=PMUJUSJUVIXDQC-LCYFTJDESA-N

Data: 13 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50065308   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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n/an/a>1.00E+5n/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
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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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
Vascular endothelial growth factor receptor 1


(Mus musculus)
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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n/an/a 70n/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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (human))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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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
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of PDGF


Proc Natl Acad Sci USA 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
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of EGF


Proc Natl Acad Sci USA 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
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Proc Natl Acad Sci USA 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))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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n/an/a 4.30E+3n/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))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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n/an/a 1.90E+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))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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n/an/a 5.40E+3n/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))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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n/an/a 760n/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
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of bPDGFR in human PAC1 cells


Proc Natl Acad Sci USA 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