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BDBM50362059 CHEMBL1940104

SMILES: COc1cccc(NC(=O)Cn2cc(Nc3ncnc4cc(OC)c(OC)cc34)cn2)c1

InChI Key: InChIKey=FWRUVEHMIVRQGU-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50362059   
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
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50362059
PNG
(CHEMBL1940104)
Show SMILES COc1cccc(NC(=O)Cn2cc(Nc3ncnc4cc(OC)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C22H22N6O4/c1-30-16-6-4-5-14(7-16)26-21(29)12-28-11-15(10-25-28)27-22-17-8-19(31-2)20(32-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,29)(H,23,24,27)
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50362059
PNG
(CHEMBL1940104)
Show SMILES COc1cccc(NC(=O)Cn2cc(Nc3ncnc4cc(OC)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C22H22N6O4/c1-30-16-6-4-5-14(7-16)26-21(29)12-28-11-15(10-25-28)27-22-17-8-19(31-2)20(32-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,29)(H,23,24,27)
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n/an/a>10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of aurora-B


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362059
PNG
(CHEMBL1940104)
Show SMILES COc1cccc(NC(=O)Cn2cc(Nc3ncnc4cc(OC)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C22H22N6O4/c1-30-16-6-4-5-14(7-16)26-21(29)12-28-11-15(10-25-28)27-22-17-8-19(31-2)20(32-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,29)(H,23,24,27)
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n/an/a>20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (Human))
BDBM50362059
PNG
(CHEMBL1940104)
Show SMILES COc1cccc(NC(=O)Cn2cc(Nc3ncnc4cc(OC)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C22H22N6O4/c1-30-16-6-4-5-14(7-16)26-21(29)12-28-11-15(10-25-28)27-22-17-8-19(31-2)20(32-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,29)(H,23,24,27)
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antibodypedia
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n/an/a>900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CSF1R phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362059
PNG
(CHEMBL1940104)
Show SMILES COc1cccc(NC(=O)Cn2cc(Nc3ncnc4cc(OC)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C22H22N6O4/c1-30-16-6-4-5-14(7-16)26-21(29)12-28-11-15(10-25-28)27-22-17-8-19(31-2)20(32-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,29)(H,23,24,27)
PDB
MMDB

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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair