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SMILES: CCCCS(=O)(=O)Nc1cccc(c1)-c1cc(Nc2cc(nc(C)n2)N2CCN(C)CC2)[nH]n1

InChI Key: InChIKey=WBYNEGUTLZQEPR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50349017   
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 1


(Homo sapiens (Human))
BDBM50349017
PNG
(CHEMBL1807485)
Show SMILES CCCCS(=O)(=O)Nc1cccc(c1)-c1cc(Nc2cc(nc(C)n2)N2CCN(C)CC2)[nH]n1
Show InChI InChI=1S/C23H32N8O2S/c1-4-5-13-34(32,33)29-19-8-6-7-18(14-19)20-15-22(28-27-20)26-21-16-23(25-17(2)24-21)31-11-9-30(3)10-12-31/h6-8,14-16,29H,4-5,9-13H2,1-3H3,(H2,24,25,26,27,28)
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KEGG

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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR1 expressed in Sf9 insect cells after 120 mins by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [K633Q]


(Homo sapiens (Human))
BDBM50349017
PNG
(CHEMBL1807485)
Show SMILES CCCCS(=O)(=O)Nc1cccc(c1)-c1cc(Nc2cc(nc(C)n2)N2CCN(C)CC2)[nH]n1
Show InChI InChI=1S/C23H32N8O2S/c1-4-5-13-34(32,33)29-19-8-6-7-18(14-19)20-15-22(28-27-20)26-21-16-23(25-17(2)24-21)31-11-9-30(3)10-12-31/h6-8,14-16,29H,4-5,9-13H2,1-3H3,(H2,24,25,26,27,28)
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PC sid
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged FLT3 expressing wild type kinase domain expressed in Sf9 insect cells after 4 hrs by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349017
PNG
(CHEMBL1807485)
Show SMILES CCCCS(=O)(=O)Nc1cccc(c1)-c1cc(Nc2cc(nc(C)n2)N2CCN(C)CC2)[nH]n1
Show InChI InChI=1S/C23H32N8O2S/c1-4-5-13-34(32,33)29-19-8-6-7-18(14-19)20-15-22(28-27-20)26-21-16-23(25-17(2)24-21)31-11-9-30(3)10-12-31/h6-8,14-16,29H,4-5,9-13H2,1-3H3,(H2,24,25,26,27,28)
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged Aurora A expressed in Sf9 insect cells after 90 mins by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50349017
PNG
(CHEMBL1807485)
Show SMILES CCCCS(=O)(=O)Nc1cccc(c1)-c1cc(Nc2cc(nc(C)n2)N2CCN(C)CC2)[nH]n1
Show InChI InChI=1S/C23H32N8O2S/c1-4-5-13-34(32,33)29-19-8-6-7-18(14-19)20-15-22(28-27-20)26-21-16-23(25-17(2)24-21)31-11-9-30(3)10-12-31/h6-8,14-16,29H,4-5,9-13H2,1-3H3,(H2,24,25,26,27,28)
PDB
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged VEGFR2 expressed in Sf9 insect cells after 120 mins by Kinase-Glo assay


Bioorg Med Chem 19: 4173-82 (2011)


Article DOI: 10.1016/j.bmc.2011.06.016
BindingDB Entry DOI: 10.7270/Q2CR5TQV
More data for this
Ligand-Target Pair