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Compile Data Set for Download or QSAR

Found 3 hits from Beta Pharma, Inc.   
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))
BDBM186015
PNG
(US9163010, Formula II)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)N1CCOCCOCCOCC1
Show InChI InChI=1S/C24H28FN3O5/c1-15-21(14-19-18-13-17(25)3-4-20(18)27-23(19)29)26-16(2)22(15)24(30)28-5-7-31-9-11-33-12-10-32-8-6-28/h3-4,13-14,26H,5-12H2,1-2H3,(H,27,29)/b19-14-
PDB
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PC cid
PC sid
UniChem

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US Patent
n/an/a 2.5n/an/an/an/an/an/a



Beta Pharma, Inc.

US Patent


Assay Description
The effects of compound of formula II on inhibiting VEGFR were compared against that of sunitinib in vitro.


US Patent US9163010 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3XB9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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PC sid
PDB
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PDB
US Patent
n/an/a 10n/an/an/an/an/an/a



Beta Pharma, Inc.

US Patent


Assay Description
The effects of compound of formula II on inhibiting VEGFR were compared against that of sunitinib in vitro.


US Patent US9163010 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3XB9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM186015
PNG
(US9163010, Formula II)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)N1CCOCCOCCOCC1
Show InChI InChI=1S/C24H28FN3O5/c1-15-21(14-19-18-13-17(25)3-4-20(18)27-23(19)29)26-16(2)22(15)24(30)28-5-7-31-9-11-33-12-10-32-8-6-28/h3-4,13-14,26H,5-12H2,1-2H3,(H,27,29)/b19-14-
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 40n/an/an/an/an/an/a



Beta Pharma, Inc.

US Patent


Assay Description
The effects of compound of formula II on inhibiting VEGFR were compared against that of sunitinib in vitro.


US Patent US9163010 (2015)


BindingDB Entry DOI: 10.7270/Q2BC3XB9
More data for this
Ligand-Target Pair