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BDBM17015 (3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one::CHEMBL86755::Indolinone based inhibitor, 1::Oxindole I

SMILES: O=C1Nc2ccccc2\C1=C\c1ccc[nH]1

InChI Key: InChIKey=SEZFNTZQMWJIAI-FLIBITNWSA-N

Data: 15 IC50  2 Kd

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 17 hits for monomerid = 17015   
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
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
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
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
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
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
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 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
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