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BDBM235819 US9364459, F

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

InChI Key: InChIKey=CCTPDBLGXLIWLF-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 = 235819   
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))
BDBM235819
PNG
(US9364459, F)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CC[NH3+])c2ccccc12 |t:13|
Show InChI InChI=1S/C23H23N3O5/c1-29-17-10-13(11-18(30-2)21(17)31-3)19-20(23(28)25-22(19)27)15-12-26(9-8-24)16-7-5-4-6-14(15)16/h4-7,10-12H,8-9,24H2,1-3H3,(H,25,27,28)/p+1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.89E+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))
BDBM235819
PNG
(US9364459, F)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CC[NH3+])c2ccccc12 |t:13|
Show InChI InChI=1S/C23H23N3O5/c1-29-17-10-13(11-18(30-2)21(17)31-3)19-20(23(28)25-22(19)27)15-12-26(9-8-24)16-7-5-4-6-14(15)16/h4-7,10-12H,8-9,24H2,1-3H3,(H,25,27,28)/p+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 195n/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))
BDBM235819
PNG
(US9364459, F)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CC[NH3+])c2ccccc12 |t:13|
Show InChI InChI=1S/C23H23N3O5/c1-29-17-10-13(11-18(30-2)21(17)31-3)19-20(23(28)25-22(19)27)15-12-26(9-8-24)16-7-5-4-6-14(15)16/h4-7,10-12H,8-9,24H2,1-3H3,(H,25,27,28)/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 227n/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