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BDBM235820 US9364459, G

SMILES: COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCC[NH3+])c2ccccc12

InChI Key: InChIKey=ILDYBWHQYPVFSI-UHFFFAOYSA-O

Data: 3 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 3 hits for monomerid = 235820   
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 2


(Homo sapiens (Human))
BDBM235820
PNG
(US9364459, G)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCC[NH3+])c2ccccc12 |t:13|
Show InChI InChI=1S/C24H25N3O5/c1-30-18-11-14(12-19(31-2)22(18)32-3)20-21(24(29)26-23(20)28)16-13-27(10-6-9-25)17-8-5-4-7-15(16)17/h4-5,7-8,11-13H,6,9-10,25H2,1-3H3,(H,26,28,29)/p+1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.50E+3n/an/an/an/an/an/a



Johannes Gutenberg-Universität Mainz; Universitätsmedizin der Johannes Gutenberg-Universität Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US9364459 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5FK2
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM235820
PNG
(US9364459, G)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCC[NH3+])c2ccccc12 |t:13|
Show InChI InChI=1S/C24H25N3O5/c1-30-18-11-14(12-19(31-2)22(18)32-3)20-21(24(29)26-23(20)28)16-13-27(10-6-9-25)17-8-5-4-7-15(16)17/h4-5,7-8,11-13H,6,9-10,25H2,1-3H3,(H,26,28,29)/p+1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 129n/an/an/an/an/an/a



Johannes Gutenberg-Universität Mainz; Universitätsmedizin der Johannes Gutenberg-Universität Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US9364459 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5FK2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM235820
PNG
(US9364459, G)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCC[NH3+])c2ccccc12 |t:13|
Show InChI InChI=1S/C24H25N3O5/c1-30-18-11-14(12-19(31-2)22(18)32-3)20-21(24(29)26-23(20)28)16-13-27(10-6-9-25)17-8-5-4-7-15(16)17/h4-5,7-8,11-13H,6,9-10,25H2,1-3H3,(H,26,28,29)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Johannes Gutenberg-Universität Mainz; Universitätsmedizin der Johannes Gutenberg-Universität Mainz

US Patent


Assay Description
The effect of test compounds on the activity of the protein kinases GSK-3β, VEGFR-2 and FLT-3 was evaluated based on half maximal inhibitory con...


US Patent US9364459 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5FK2
More data for this
Ligand-Target Pair