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BDBM50137583 3-[1-(3-{3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-propyl}-4,5,6,7-tetrahydro-1H-indol-2-yl)-meth-(Z)-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid methylamide::CHEMBL56109

SMILES: CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1

InChI Key: InChIKey=WWSWQMMEPXHAON-NKFKGCMQSA-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 = 50137583   
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))
BDBM50137583
PNG
(3-[1-(3-{3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-pr...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C27H37N5O4S/c1-28-37(35,36)19-8-9-25-22(17-19)23(27(34)30-25)18-26-21(20-5-2-3-7-24(20)29-26)6-4-10-31-11-13-32(14-12-31)15-16-33/h8-9,17-18,28-29,33H,2-7,10-16H2,1H3,(H,30,34)/b23-18-
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n/an/a 30n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Src protein tryrosine 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 Lck


(Homo sapiens (Human))
BDBM50137583
PNG
(3-[1-(3-{3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-pr...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C27H37N5O4S/c1-28-37(35,36)19-8-9-25-22(17-19)23(27(34)30-25)18-26-21(20-5-2-3-7-24(20)29-26)6-4-10-31-11-13-32(14-12-31)15-16-33/h8-9,17-18,28-29,33H,2-7,10-16H2,1H3,(H,30,34)/b23-18-
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n/an/a 400n/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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50137583
PNG
(3-[1-(3-{3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-pr...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C27H37N5O4S/c1-28-37(35,36)19-8-9-25-22(17-19)23(27(34)30-25)18-26-21(20-5-2-3-7-24(20)29-26)6-4-10-31-11-13-32(14-12-31)15-16-33/h8-9,17-18,28-29,33H,2-7,10-16H2,1H3,(H,30,34)/b23-18-
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n/an/a 600n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50137583
PNG
(3-[1-(3-{3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-pr...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C27H37N5O4S/c1-28-37(35,36)19-8-9-25-22(17-19)23(27(34)30-25)18-26-21(20-5-2-3-7-24(20)29-26)6-4-10-31-11-13-32(14-12-31)15-16-33/h8-9,17-18,28-29,33H,2-7,10-16H2,1H3,(H,30,34)/b23-18-
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n/an/a 3.00E+3n/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 Yes


(Homo sapiens (Human))
BDBM50137583
PNG
(3-[1-(3-{3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-pr...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C27H37N5O4S/c1-28-37(35,36)19-8-9-25-22(17-19)23(27(34)30-25)18-26-21(20-5-2-3-7-24(20)29-26)6-4-10-31-11-13-32(14-12-31)15-16-33/h8-9,17-18,28-29,33H,2-7,10-16H2,1H3,(H,30,34)/b23-18-
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n/an/a 10n/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
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50137583
PNG
(3-[1-(3-{3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-pr...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C27H37N5O4S/c1-28-37(35,36)19-8-9-25-22(17-19)23(27(34)30-25)18-26-21(20-5-2-3-7-24(20)29-26)6-4-10-31-11-13-32(14-12-31)15-16-33/h8-9,17-18,28-29,33H,2-7,10-16H2,1H3,(H,30,34)/b23-18-
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n/an/a 100n/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))
BDBM50137583
PNG
(3-[1-(3-{3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-pr...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C27H37N5O4S/c1-28-37(35,36)19-8-9-25-22(17-19)23(27(34)30-25)18-26-21(20-5-2-3-7-24(20)29-26)6-4-10-31-11-13-32(14-12-31)15-16-33/h8-9,17-18,28-29,33H,2-7,10-16H2,1H3,(H,30,34)/b23-18-
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n/an/a 5.60E+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))
BDBM50137583
PNG
(3-[1-(3-{3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-pr...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C27H37N5O4S/c1-28-37(35,36)19-8-9-25-22(17-19)23(27(34)30-25)18-26-21(20-5-2-3-7-24(20)29-26)6-4-10-31-11-13-32(14-12-31)15-16-33/h8-9,17-18,28-29,33H,2-7,10-16H2,1H3,(H,30,34)/b23-18-
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PubMed
n/an/a 400n/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