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BDBM50328414 CHEMBL1258603::E/Z-(S)-5-fluoro-3-((4-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)ethoxy)-3-methylazulen-1-yl)methylene)indolin-2-one

SMILES: Cc1cc(C=C2C(=O)Nc3ccc(F)cc23)c2ccccc(OCCN3CCC[C@H]3CO)c12

InChI Key: InChIKey=ZAXCRUCBIGQULY-FQEVSTJZSA-N

Data: 5 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50328414   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50328414
PNG
(CHEMBL1258603 | E/Z-(S)-5-fluoro-3-((4-(2-(2-(hydr...)
Show SMILES Cc1cc(C=C2C(=O)Nc3ccc(F)cc23)c2ccccc(OCCN3CCC[C@H]3CO)c12 |r,w:4.3|
Show InChI InChI=1S/C27H27FN2O3/c1-17-13-18(14-23-22-15-19(28)8-9-24(22)29-27(23)32)21-6-2-3-7-25(26(17)21)33-12-11-30-10-4-5-20(30)16-31/h2-3,6-9,13-15,20,31H,4-5,10-12,16H2,1H3,(H,29,32)/t20-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Industrial Technology Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by time resolved fluorescence method


Bioorg Med Chem Lett 20: 6129-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50328414
PNG
(CHEMBL1258603 | E/Z-(S)-5-fluoro-3-((4-(2-(2-(hydr...)
Show SMILES Cc1cc(C=C2C(=O)Nc3ccc(F)cc23)c2ccccc(OCCN3CCC[C@H]3CO)c12 |r,w:4.3|
Show InChI InChI=1S/C27H27FN2O3/c1-17-13-18(14-23-22-15-19(28)8-9-24(22)29-27(23)32)21-6-2-3-7-25(26(17)21)33-12-11-30-10-4-5-20(30)16-31/h2-3,6-9,13-15,20,31H,4-5,10-12,16H2,1H3,(H,29,32)/t20-/m0/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Industrial Technology Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLT3 autophosphorylation in human RS4-11 cells by Western blot analysis


Bioorg Med Chem Lett 20: 6129-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50328414
PNG
(CHEMBL1258603 | E/Z-(S)-5-fluoro-3-((4-(2-(2-(hydr...)
Show SMILES Cc1cc(C=C2C(=O)Nc3ccc(F)cc23)c2ccccc(OCCN3CCC[C@H]3CO)c12 |r,w:4.3|
Show InChI InChI=1S/C27H27FN2O3/c1-17-13-18(14-23-22-15-19(28)8-9-24(22)29-27(23)32)21-6-2-3-7-25(26(17)21)33-12-11-30-10-4-5-20(30)16-31/h2-3,6-9,13-15,20,31H,4-5,10-12,16H2,1H3,(H,29,32)/t20-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Industrial Technology Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta autophosphorylation by cell based western blot analysis


Bioorg Med Chem Lett 20: 6129-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50328414
PNG
(CHEMBL1258603 | E/Z-(S)-5-fluoro-3-((4-(2-(2-(hydr...)
Show SMILES Cc1cc(C=C2C(=O)Nc3ccc(F)cc23)c2ccccc(OCCN3CCC[C@H]3CO)c12 |r,w:4.3|
Show InChI InChI=1S/C27H27FN2O3/c1-17-13-18(14-23-22-15-19(28)8-9-24(22)29-27(23)32)21-6-2-3-7-25(26(17)21)33-12-11-30-10-4-5-20(30)16-31/h2-3,6-9,13-15,20,31H,4-5,10-12,16H2,1H3,(H,29,32)/t20-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 186n/an/an/an/an/an/a



Industrial Technology Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KDR autophosphorylation in HUVEC by Western blot analysis


Bioorg Med Chem Lett 20: 6129-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50328414
PNG
(CHEMBL1258603 | E/Z-(S)-5-fluoro-3-((4-(2-(2-(hydr...)
Show SMILES Cc1cc(C=C2C(=O)Nc3ccc(F)cc23)c2ccccc(OCCN3CCC[C@H]3CO)c12 |r,w:4.3|
Show InChI InChI=1S/C27H27FN2O3/c1-17-13-18(14-23-22-15-19(28)8-9-24(22)29-27(23)32)21-6-2-3-7-25(26(17)21)33-12-11-30-10-4-5-20(30)16-31/h2-3,6-9,13-15,20,31H,4-5,10-12,16H2,1H3,(H,29,32)/t20-/m0/s1
PDB

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Industrial Technology Research Institute

Curated by ChEMBL


Assay Description
Inhibition of c-Kit autophosphorylation in human Kasumi-1 cells by Western blot analysis


Bioorg Med Chem Lett 20: 6129-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51
More data for this
Ligand-Target Pair