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BDBM235825 US9364459, M

SMILES: COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCN2CCOCC2)c2ccccc12

InChI Key: InChIKey=BWYFZMARRPMNBE-UHFFFAOYSA-N

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 = 235825   
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))
BDBM235825
PNG
(US9364459, M)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCN2CCOCC2)c2ccccc12 |t:13|
Show InChI InChI=1S/C27H29N3O6/c1-33-21-14-17(15-22(34-2)25(21)35-3)23-24(27(32)28-26(23)31)19-16-30(20-7-5-4-6-18(19)20)9-8-29-10-12-36-13-11-29/h4-7,14-16H,8-13H2,1-3H3,(H,28,31,32)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 9.20E+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))
BDBM235825
PNG
(US9364459, M)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCN2CCOCC2)c2ccccc12 |t:13|
Show InChI InChI=1S/C27H29N3O6/c1-33-21-14-17(15-22(34-2)25(21)35-3)23-24(27(32)28-26(23)31)19-16-30(20-7-5-4-6-18(19)20)9-8-29-10-12-36-13-11-29/h4-7,14-16H,8-13H2,1-3H3,(H,28,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 657n/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))
BDBM235825
PNG
(US9364459, M)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCN2CCOCC2)c2ccccc12 |t:13|
Show InChI InChI=1S/C27H29N3O6/c1-33-21-14-17(15-22(34-2)25(21)35-3)23-24(27(32)28-26(23)31)19-16-30(20-7-5-4-6-18(19)20)9-8-29-10-12-36-13-11-29/h4-7,14-16H,8-13H2,1-3H3,(H,28,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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