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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 = 'BDBM227795'   
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))
BDBM227795
PNG
(BDBM227897 | US10047096, 58 | rac-4-[(2-Fluoro-5-h...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(CCO)C5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C27H30FN5O3/c1-16-11-19(28)22(13-24(16)35)30-21-6-8-29-26-25(21)27(36)32-23-12-18(4-5-20(23)31-26)15-33-9-2-3-17(14-33)7-10-34/h4-6,8,11-13,17,34-35H,2-3,7,9-10,14-15H2,1H3,(H,32,36)(H2,29,30,31)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.548n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM227795
PNG
(BDBM227897 | US10047096, 58 | rac-4-[(2-Fluoro-5-h...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(CCO)C5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C27H30FN5O3/c1-16-11-19(28)22(13-24(16)35)30-21-6-8-29-26-25(21)27(36)32-23-12-18(4-5-20(23)31-26)15-33-9-2-3-17(14-33)7-10-34/h4-6,8,11-13,17,34-35H,2-3,7,9-10,14-15H2,1H3,(H,32,36)(H2,29,30,31)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.831n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM227795
PNG
(BDBM227897 | US10047096, 58 | rac-4-[(2-Fluoro-5-h...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(CCO)C5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C27H30FN5O3/c1-16-11-19(28)22(13-24(16)35)30-21-6-8-29-26-25(21)27(36)32-23-12-18(4-5-20(23)31-26)15-33-9-2-3-17(14-33)7-10-34/h4-6,8,11-13,17,34-35H,2-3,7,9-10,14-15H2,1H3,(H,32,36)(H2,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.833n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair