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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 412.3
BDBM372966

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
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
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM372966
PNG
(US10597366, Compound 9 | US9896418, Compound 9)
Show SMILES OC1c2c(CC1(F)F)c(Oc1cc(F)cc(F)c1)ccc2S(=O)(=O)C(F)F
Show InChI InChI=1S/C16H10F6O4S/c17-7-3-8(18)5-9(4-7)26-11-1-2-12(27(24,25)15(19)20)13-10(11)6-16(21,22)14(13)23/h1-5,14-15,23H,6H2
PDB
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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a<5n/an/an/an/an/an/a



Peloton Therapeutics, Inc.

US Patent


Assay Description
HIF-2a: The total assay volume was about 100 uL in the following configuration: 2 uL compound in 100% DMSO, 88 uL buffer with protein and probe and 1...


US Patent US10597366 (2020)


BindingDB Entry DOI: 10.7270/Q2M32ZSW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM372966
PNG
(US10597366, Compound 9 | US9896418, Compound 9)
Show SMILES OC1c2c(CC1(F)F)c(Oc1cc(F)cc(F)c1)ccc2S(=O)(=O)C(F)F
Show InChI InChI=1S/C16H10F6O4S/c17-7-3-8(18)5-9(4-7)26-11-1-2-12(27(24,25)15(19)20)13-10(11)6-16(21,22)14(13)23/h1-5,14-15,23H,6H2
PDB
MMDB

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PC sid
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n/an/an/an/a 6n/an/an/an/a



Peloton Therapeutics, Inc.

US Patent


Assay Description
VEGF: Four hours later, serial dilutions of 10x compound stocks were made in growth medium from 500xDMSO stocks, and 20 uL of those 10x stocks were a...


US Patent US10597366 (2020)


BindingDB Entry DOI: 10.7270/Q2M32ZSW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM372966
PNG
(US10597366, Compound 9 | US9896418, Compound 9)
Show SMILES OC1c2c(CC1(F)F)c(Oc1cc(F)cc(F)c1)ccc2S(=O)(=O)C(F)F
Show InChI InChI=1S/C16H10F6O4S/c17-7-3-8(18)5-9(4-7)26-11-1-2-12(27(24,25)15(19)20)13-10(11)6-16(21,22)14(13)23/h1-5,14-15,23H,6H2
PDB
MMDB

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n/an/an/an/a 6n/an/an/an/a



The Scripps Research Institute



Assay Description
About 7500 of 786-0 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-...


J Med Chem 50: 3359-68 (2007)


BindingDB Entry DOI: 10.7270/Q2FN18HM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM372966
PNG
(US10597366, Compound 9 | US9896418, Compound 9)
Show SMILES OC1c2c(CC1(F)F)c(Oc1cc(F)cc(F)c1)ccc2S(=O)(=O)C(F)F
Show InChI InChI=1S/C16H10F6O4S/c17-7-3-8(18)5-9(4-7)26-11-1-2-12(27(24,25)15(19)20)13-10(11)6-16(21,22)14(13)23/h1-5,14-15,23H,6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6n/an/an/an/a



Research Triangle Institute



Assay Description
Four hours later, serial dilutions of 10× compound stocks were made in growth medium from 500×DMSO stocks, and 20 μL of those 10× stocks were ad...


J Med Chem 50: 3686-95 (2007)


BindingDB Entry DOI: 10.7270/Q2QC05TR
More data for this
Ligand-Target Pair