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SMILES: COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1cn(C)nc1C

InChI Key: InChIKey=YKRJUNOOAMJFCU-UHFFFAOYSA-N

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 4 hits for monomerid = 50381939   
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))
BDBM50381939
PNG
(CHEMBL2023488)
Show SMILES COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1cn(C)nc1C
Show InChI InChI=1S/C25H26N4O5/c1-15-20(14-29(2)28-15)27-25(30)10-16-6-7-17(11-22(16)31-3)34-21-8-9-26-19-13-24(33-5)23(32-4)12-18(19)21/h6-9,11-14H,10H2,1-5H3,(H,27,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Flt3


Bioorg Med Chem Lett 22: 3050-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.074
BindingDB Entry DOI: 10.7270/Q298881Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50381939
PNG
(CHEMBL2023488)
Show SMILES COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1cn(C)nc1C
Show InChI InChI=1S/C25H26N4O5/c1-15-20(14-29(2)28-15)27-25(30)10-16-6-7-17(11-22(16)31-3)34-21-8-9-26-19-13-24(33-5)23(32-4)12-18(19)21/h6-9,11-14H,10H2,1-5H3,(H,27,30)
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n/an/a 3.95E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 22: 3050-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.074
BindingDB Entry DOI: 10.7270/Q298881Z
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50381939
PNG
(CHEMBL2023488)
Show SMILES COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1cn(C)nc1C
Show InChI InChI=1S/C25H26N4O5/c1-15-20(14-29(2)28-15)27-25(30)10-16-6-7-17(11-22(16)31-3)34-21-8-9-26-19-13-24(33-5)23(32-4)12-18(19)21/h6-9,11-14H,10H2,1-5H3,(H,27,30)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CSF-1R


Bioorg Med Chem Lett 22: 3050-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.074
BindingDB Entry DOI: 10.7270/Q298881Z
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50381939
PNG
(CHEMBL2023488)
Show SMILES COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1cn(C)nc1C
Show InChI InChI=1S/C25H26N4O5/c1-15-20(14-29(2)28-15)27-25(30)10-16-6-7-17(11-22(16)31-3)34-21-8-9-26-19-13-24(33-5)23(32-4)12-18(19)21/h6-9,11-14H,10H2,1-5H3,(H,27,30)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


Bioorg Med Chem Lett 22: 3050-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.074
BindingDB Entry DOI: 10.7270/Q298881Z
More data for this
Ligand-Target Pair