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BDBM50362060 CHEMBL1940105

SMILES: COc1cc2ncnc(Nc3cnn(CC(=O)Nc4ccc(cc4)N(C)C)c3)c2cc1OC

InChI Key: InChIKey=GERTXWLPZYPXBE-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 = 50362060   
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))
BDBM50362060
PNG
(CHEMBL1940105)
Show SMILES COc1cc2ncnc(Nc3cnn(CC(=O)Nc4ccc(cc4)N(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H25N7O3/c1-29(2)17-7-5-15(6-8-17)27-22(31)13-30-12-16(11-26-30)28-23-18-9-20(32-3)21(33-4)10-19(18)24-14-25-23/h5-12,14H,13H2,1-4H3,(H,27,31)(H,24,25,28)
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PubMed
n/an/a 101n/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))
BDBM50362060
PNG
(CHEMBL1940105)
Show SMILES COc1cc2ncnc(Nc3cnn(CC(=O)Nc4ccc(cc4)N(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H25N7O3/c1-29(2)17-7-5-15(6-8-17)27-22(31)13-30-12-16(11-26-30)28-23-18-9-20(32-3)21(33-4)10-19(18)24-14-25-23/h5-12,14H,13H2,1-4H3,(H,27,31)(H,24,25,28)
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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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50362060
PNG
(CHEMBL1940105)
Show SMILES COc1cc2ncnc(Nc3cnn(CC(=O)Nc4ccc(cc4)N(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H25N7O3/c1-29(2)17-7-5-15(6-8-17)27-22(31)13-30-12-16(11-26-30)28-23-18-9-20(32-3)21(33-4)10-19(18)24-14-25-23/h5-12,14H,13H2,1-4H3,(H,27,31)(H,24,25,28)
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PC sid
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PubMed
n/an/a 4n/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 1 receptor


(Homo sapiens (human))
BDBM50362060
PNG
(CHEMBL1940105)
Show SMILES COc1cc2ncnc(Nc3cnn(CC(=O)Nc4ccc(cc4)N(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H25N7O3/c1-29(2)17-7-5-15(6-8-17)27-22(31)13-30-12-16(11-26-30)28-23-18-9-20(32-3)21(33-4)10-19(18)24-14-25-23/h5-12,14H,13H2,1-4H3,(H,27,31)(H,24,25,28)
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PC sid
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PubMed
n/an/a 600n/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))
BDBM50362060
PNG
(CHEMBL1940105)
Show SMILES COc1cc2ncnc(Nc3cnn(CC(=O)Nc4ccc(cc4)N(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H25N7O3/c1-29(2)17-7-5-15(6-8-17)27-22(31)13-30-12-16(11-26-30)28-23-18-9-20(32-3)21(33-4)10-19(18)24-14-25-23/h5-12,14H,13H2,1-4H3,(H,27,31)(H,24,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/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