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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor A' and Ligand = 'BDBM282572'   
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 A


(Homo sapiens (Human))
BDBM282572
PNG
((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Show SMILES O[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F |r|
Show InChI InChI=1S/C16H8F5NO4S/c17-8-3-7(6-22)4-9(5-8)26-10-1-2-11-13(12(10)15(18)19)14(23)16(20,21)27(11,24)25/h1-5,14-15,23H/t14-/m1/s1
PDB
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PC sid
PDB
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US Patent
n/an/a<5n/an/an/an/a7.5n/a



PELOTON THERAPEUTICS, INC.

US Patent


Assay Description
The total assay volume was about 100 μL in the following configuration: 2-μL compound in DMSO, 88 μL buffer with protein and probe and...


US Patent US9884843 (2018)


BindingDB Entry DOI: 10.7270/Q2HQ41Z0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM282572
PNG
((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Show SMILES O[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F |r|
Show InChI InChI=1S/C16H8F5NO4S/c17-8-3-7(6-22)4-9(5-8)26-10-1-2-11-13(12(10)15(18)19)14(23)16(20,21)27(11,24)25/h1-5,14-15,23H/t14-/m1/s1
PDB
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MCE
PC cid
PC sid
PDB
UniChem
US Patent
n/an/a<5n/an/an/an/a7.5n/a



PELOTON THERAPEUTICS, INC.

US Patent


Assay Description
The total assay volume was about 100 μL in the following configuration: 2-μL compound in DMSO, 88 μL buffer with protein and probe and...


US Patent US9884843 (2018)


BindingDB Entry DOI: 10.7270/Q2HQ41Z0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM282572
PNG
((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Show SMILES O[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F |r|
Show InChI InChI=1S/C16H8F5NO4S/c17-8-3-7(6-22)4-9(5-8)26-10-1-2-11-13(12(10)15(18)19)14(23)16(20,21)27(11,24)25/h1-5,14-15,23H/t14-/m1/s1
PDB
MMDB

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MCE
PC cid
PC sid
PDB
UniChem
US Patent
n/an/an/an/a 62n/an/an/an/a



PELOTON THERAPEUTICS, INC.

US Patent


Assay Description
About 7500 of 786-O cells in 180 μL of growth medium were seeded into each well of a 96 well plate with white clear bottom on the first day (07-...


US Patent US9884843 (2018)


BindingDB Entry DOI: 10.7270/Q2HQ41Z0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM282572
PNG
((R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy-...)
Show SMILES O[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F |r|
Show InChI InChI=1S/C16H8F5NO4S/c17-8-3-7(6-22)4-9(5-8)26-10-1-2-11-13(12(10)15(18)19)14(23)16(20,21)27(11,24)25/h1-5,14-15,23H/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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MCE
PC cid
PC sid
PDB
UniChem
US Patent
n/an/an/an/a 9n/an/an/an/a



PELOTON THERAPEUTICS, INC.

US Patent


Assay Description
About 7500 of 786-O cells in 180 μL of growth medium were seeded into each well of a 96 well plate with white clear bottom on the first day (07-...


US Patent US9884843 (2018)


BindingDB Entry DOI: 10.7270/Q2HQ41Z0
More data for this
Ligand-Target Pair