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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2' and Ligand = 'BDBM139606'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM139606
PNG
(US8889870, 152 | US9388176, 152 | US9820989, 152)
Show SMILES Cc1ccc(cc1N1CCc2ncncc2C1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O/c1-14-5-6-15(21(30)28-18-4-2-3-17(10-18)22(23,24)25)9-20(14)29-8-7-19-16(12-29)11-26-13-27-19/h2-6,9-11,13H,7-8,12H2,1H3,(H,28,30)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
104n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microliter plates that were coated overnight with 75 μg/well of poly-Glu-Tyr (4:1) in 10...


US Patent US9820989 (2017)


BindingDB Entry DOI: 10.7270/Q2TT4T6G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM139606
PNG
(US8889870, 152 | US9388176, 152 | US9820989, 152)
Show SMILES Cc1ccc(cc1N1CCc2ncncc2C1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O/c1-14-5-6-15(21(30)28-18-4-2-3-17(10-18)22(23,24)25)9-20(14)29-8-7-19-16(12-29)11-26-13-27-19/h2-6,9-11,13H,7-8,12H2,1H3,(H,28,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 104n/an/an/an/a7.4n/a



Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microliter plates that were coated overnight with 75 .mu.g/well of poly-Glu-Tyr (4:1) in 10 m...


US Patent US8889870 (2014)


BindingDB Entry DOI: 10.7270/Q25B0158
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM139606
PNG
(US8889870, 152 | US9388176, 152 | US9820989, 152)
Show SMILES Cc1ccc(cc1N1CCc2ncncc2C1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O/c1-14-5-6-15(21(30)28-18-4-2-3-17(10-18)22(23,24)25)9-20(14)29-8-7-19-16(12-29)11-26-13-27-19/h2-6,9-11,13H,7-8,12H2,1H3,(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 104n/an/an/an/a7.430



ALLERGAN, INC.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microliter plates that were coated overnight with 75 μg/well of poly-Glu-Tyr (4:1) in 10 m...


US Patent US9388176 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60DZ
More data for this
Ligand-Target Pair