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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 = 'BDBM139622'   
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))
BDBM139622
PNG
(US8889870, 170 | US9388176, 170 | US9820989, 170)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cncc3C(O)=O)c1
Show InChI InChI=1S/C25H25N3O3/c1-16(2)17-5-3-7-20(11-17)27-24(29)18-6-4-8-21(12-18)28-10-9-22-19(15-28)13-26-14-23(22)25(30)31/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,27,29)(H,30,31)
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PC sid
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Similars

US Patent
54n/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))
BDBM139622
PNG
(US8889870, 170 | US9388176, 170 | US9820989, 170)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cncc3C(O)=O)c1
Show InChI InChI=1S/C25H25N3O3/c1-16(2)17-5-3-7-20(11-17)27-24(29)18-6-4-8-21(12-18)28-10-9-22-19(15-28)13-26-14-23(22)25(30)31/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,27,29)(H,30,31)
PDB
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 54n/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))
BDBM139622
PNG
(US8889870, 170 | US9388176, 170 | US9820989, 170)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cncc3C(O)=O)c1
Show InChI InChI=1S/C25H25N3O3/c1-16(2)17-5-3-7-20(11-17)27-24(29)18-6-4-8-21(12-18)28-10-9-22-19(15-28)13-26-14-23(22)25(30)31/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,27,29)(H,30,31)
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 54n/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