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BDBM4811 (Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrol-3-yl]-propionic acid::3-(2,4-dimethyl-5-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid::CHEMBL274654::SU6668

SMILES: Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O

InChI Key: InChIKey=NHFDRBXTEDBWCZ-ZROIWOOFSA-N

Data: 21 IC50

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 21 hits for monomerid = 4811   
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
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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PubMed
n/an/a 2.40E+3n/an/an/an/a7.522



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 1.95E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged FGFR1 using poly(Glu,Tyr) as substrate after 30 mins by alphascreen assay


Bioorg Med Chem Lett 22: 4979-85 (2012)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta)


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 60n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 46: 1116-9 (2003)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a>2.00E+4n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 46: 1116-9 (2003)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 2.43E+3n/an/an/an/a7.522



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 42: 5120-30 (1999)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 3.04E+3n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 42: 5120-30 (1999)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta)


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 60n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 42: 5120-30 (1999)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a>1.00E+5n/an/an/an/an/an/a



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of EGF-R or PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well...


J Med Chem 42: 5120-30 (1999)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 35n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in the presence of 20uM ATP


Biochem J 408: 297-315 (2007)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 210n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Aurora C in the presence of 5uM ATP


Biochem J 408: 297-315 (2007)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Mahidol University

Curated by ChEMBL


Assay Description
Inhibition of rhFGF2-induced cellular proliferation of HUVEC


Bioorg Med Chem Lett 17: 4812-8 (2007)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 1.81E+3n/an/an/an/an/an/a



Mahidol University

Curated by ChEMBL


Assay Description
Inhibition of human FGFR1 expressed in insect cells by HTRF method


Bioorg Med Chem Lett 19: 745-50 (2009)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 680n/an/an/an/an/an/a



Mahidol University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 19: 745-50 (2009)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta)


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 50n/an/an/an/an/an/a



Mahidol University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin)


Bioorg Med Chem Lett 19: 745-50 (2009)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Mahidol University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem Lett 19: 745-50 (2009)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 2.84E+4n/an/an/an/an/an/a



GVK Biosciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells


Eur J Med Chem 44: 4793-800 (2009)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta)


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 100n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-stimulated PDGFRbeta phosphorylation expressed in mouse NIH/3T3 cells by chemiluminescence assay


Bioorg Med Chem 18: 3575-87 (2010)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 3.90E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation in HUVEC by chemiluminescence assay


Bioorg Med Chem 18: 3575-87 (2010)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 135n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged KDR after 4 hrs by luciferase-luciferin coupled chemiluminescence assay


Bioorg Med Chem Lett 22: 4979-85 (2012)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 28n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged Flt1 using poly(Glu,Tyr) as substrate after 60 mins by alphascreen assay


Bioorg Med Chem Lett 22: 4979-85 (2012)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor


(Homo sapiens (human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 3.00E+3n/an/an/an/a7.522



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


J Med Chem 46: 1116-9 (2003)

More data for this
Ligand-Target Pair