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BDBM50137581 5-Ethanesulfonyl-3-[1-{3-[3-(4-hydroxy-piperidin-1-yl)-propyl]-4,5,6,7-tetrahydro-1H-indol-2-yl}-meth-(Z)-ylidene]-1,3-dihydro-indol-2-one::CHEMBL298566

SMILES: CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCC(O)CC3)c2c1

InChI Key: InChIKey=VJMLVRWRSSMUGF-QJOMJCCJSA-N

Data: 8 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 8 hits for monomerid = 50137581   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50137581
PNG
(5-Ethanesulfonyl-3-[1-{3-[3-(4-hydroxy-piperidin-1...)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCC(O)CC3)c2c1
Show InChI InChI=1S/C27H35N3O4S/c1-2-35(33,34)19-9-10-25-22(16-19)23(27(32)29-25)17-26-21(20-6-3-4-8-24(20)28-26)7-5-13-30-14-11-18(31)12-15-30/h9-10,16-18,28,31H,2-8,11-15H2,1H3,(H,29,32)/b23-17-
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n/an/a 800n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against cellular Src protein tryrosine kinase using the actin ring assay


Bioorg Med Chem Lett 14: 187-90 (2003)


BindingDB Entry DOI: 10.7270/Q2HM57VG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50137581
PNG
(5-Ethanesulfonyl-3-[1-{3-[3-(4-hydroxy-piperidin-1...)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCC(O)CC3)c2c1
Show InChI InChI=1S/C27H35N3O4S/c1-2-35(33,34)19-9-10-25-22(16-19)23(27(32)29-25)17-26-21(20-6-3-4-8-24(20)28-26)7-5-13-30-14-11-18(31)12-15-30/h9-10,16-18,28,31H,2-8,11-15H2,1H3,(H,29,32)/b23-17-
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n/an/a 700n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Lck tyrosine kinase


Bioorg Med Chem Lett 14: 187-90 (2003)


BindingDB Entry DOI: 10.7270/Q2HM57VG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50137581
PNG
(5-Ethanesulfonyl-3-[1-{3-[3-(4-hydroxy-piperidin-1...)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCC(O)CC3)c2c1
Show InChI InChI=1S/C27H35N3O4S/c1-2-35(33,34)19-9-10-25-22(16-19)23(27(32)29-25)17-26-21(20-6-3-4-8-24(20)28-26)7-5-13-30-14-11-18(31)12-15-30/h9-10,16-18,28,31H,2-8,11-15H2,1H3,(H,29,32)/b23-17-
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n/an/a 20n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Yes tyrosine kinase


Bioorg Med Chem Lett 14: 187-90 (2003)


BindingDB Entry DOI: 10.7270/Q2HM57VG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50137581
PNG
(5-Ethanesulfonyl-3-[1-{3-[3-(4-hydroxy-piperidin-1...)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCC(O)CC3)c2c1
Show InChI InChI=1S/C27H35N3O4S/c1-2-35(33,34)19-9-10-25-22(16-19)23(27(32)29-25)17-26-21(20-6-3-4-8-24(20)28-26)7-5-13-30-14-11-18(31)12-15-30/h9-10,16-18,28,31H,2-8,11-15H2,1H3,(H,29,32)/b23-17-
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n/an/a 70n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against cellular Src protein tryrosine kinase using the actin ring assay


Bioorg Med Chem Lett 14: 187-90 (2003)


BindingDB Entry DOI: 10.7270/Q2HM57VG
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50137581
PNG
(5-Ethanesulfonyl-3-[1-{3-[3-(4-hydroxy-piperidin-1...)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCC(O)CC3)c2c1
Show InChI InChI=1S/C27H35N3O4S/c1-2-35(33,34)19-9-10-25-22(16-19)23(27(32)29-25)17-26-21(20-6-3-4-8-24(20)28-26)7-5-13-30-14-11-18(31)12-15-30/h9-10,16-18,28,31H,2-8,11-15H2,1H3,(H,29,32)/b23-17-
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n/an/a 500n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Fibroblast growth factor receptor 1


Bioorg Med Chem Lett 14: 187-90 (2003)


BindingDB Entry DOI: 10.7270/Q2HM57VG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50137581
PNG
(5-Ethanesulfonyl-3-[1-{3-[3-(4-hydroxy-piperidin-1...)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCC(O)CC3)c2c1
Show InChI InChI=1S/C27H35N3O4S/c1-2-35(33,34)19-9-10-25-22(16-19)23(27(32)29-25)17-26-21(20-6-3-4-8-24(20)28-26)7-5-13-30-14-11-18(31)12-15-30/h9-10,16-18,28,31H,2-8,11-15H2,1H3,(H,29,32)/b23-17-
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n/an/a 600n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Fyn tyrosine kinase


Bioorg Med Chem Lett 14: 187-90 (2003)


BindingDB Entry DOI: 10.7270/Q2HM57VG
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50137581
PNG
(5-Ethanesulfonyl-3-[1-{3-[3-(4-hydroxy-piperidin-1...)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCC(O)CC3)c2c1
Show InChI InChI=1S/C27H35N3O4S/c1-2-35(33,34)19-9-10-25-22(16-19)23(27(32)29-25)17-26-21(20-6-3-4-8-24(20)28-26)7-5-13-30-14-11-18(31)12-15-30/h9-10,16-18,28,31H,2-8,11-15H2,1H3,(H,29,32)/b23-17-
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n/an/a 2.30E+3n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against PDGFRbeta tyrosine kinase


Bioorg Med Chem Lett 14: 187-90 (2003)


BindingDB Entry DOI: 10.7270/Q2HM57VG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50137581
PNG
(5-Ethanesulfonyl-3-[1-{3-[3-(4-hydroxy-piperidin-1...)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCC(O)CC3)c2c1
Show InChI InChI=1S/C27H35N3O4S/c1-2-35(33,34)19-9-10-25-22(16-19)23(27(32)29-25)17-26-21(20-6-3-4-8-24(20)28-26)7-5-13-30-14-11-18(31)12-15-30/h9-10,16-18,28,31H,2-8,11-15H2,1H3,(H,29,32)/b23-17-
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n/an/a 500n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Vascular endothelial growth factor receptor 2


Bioorg Med Chem Lett 14: 187-90 (2003)


BindingDB Entry DOI: 10.7270/Q2HM57VG
More data for this
Ligand-Target Pair