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BDBM147461 US8957103, C

SMILES: COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCOC(=O)C(N)CC(C)C)c2ccccc12

InChI Key: InChIKey=MHEYLSXQBQEYPZ-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 = 147461   
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))
BDBM147461
PNG
(US8957103, C)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCOC(=O)C(N)CC(C)C)c2ccccc12 |t:13|
Show InChI InChI=1S/C30H35N3O7/c1-17(2)13-21(31)30(36)40-12-8-11-33-16-20(19-9-6-7-10-22(19)33)26-25(28(34)32-29(26)35)18-14-23(37-3)27(39-5)24(15-18)38-4/h6-7,9-10,14-17,21H,8,11-13,31H2,1-5H3,(H,32,34,35)
PDB
MMDB

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UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Johannes Gutenberg—Universitat 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 US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM147461
PNG
(US8957103, C)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCOC(=O)C(N)CC(C)C)c2ccccc12 |t:13|
Show InChI InChI=1S/C30H35N3O7/c1-17(2)13-21(31)30(36)40-12-8-11-33-16-20(19-9-6-7-10-22(19)33)26-25(28(34)32-29(26)35)18-14-23(37-3)27(39-5)24(15-18)38-4/h6-7,9-10,14-17,21H,8,11-13,31H2,1-5H3,(H,32,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 134n/an/an/an/an/an/a



Johannes Gutenberg—Universitat 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 US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM147461
PNG
(US8957103, C)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCOC(=O)C(N)CC(C)C)c2ccccc12 |t:13|
Show InChI InChI=1S/C30H35N3O7/c1-17(2)13-21(31)30(36)40-12-8-11-33-16-20(19-9-6-7-10-22(19)33)26-25(28(34)32-29(26)35)18-14-23(37-3)27(39-5)24(15-18)38-4/h6-7,9-10,14-17,21H,8,11-13,31H2,1-5H3,(H,32,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 480n/an/an/an/an/an/a



Johannes Gutenberg—Universitat 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 US8957103 (2015)


BindingDB Entry DOI: 10.7270/Q2SJ1J99
More data for this
Ligand-Target Pair