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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Endothelial PAS domain-containing protein 1' and Ligand = 'BDBM372991'   
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))
BDBM372991
PNG
(US10597366, Compound 63 | US9896418, Compound 63)
Show SMILES O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)CF |r|
Show InChI InChI=1S/C17H11F4NO4S/c18-8-27(24,25)14-2-1-13(12-6-17(20,21)16(23)15(12)14)26-11-4-9(7-22)3-10(19)5-11/h1-5,16,23H,6,8H2/t16-/m0/s1
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Article
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n/an/a<5n/an/an/an/an/an/a



Peloton Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 hrs by scintillation proximity assay


J Med Chem 61: 9691-9721 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01196
BindingDB Entry DOI: 10.7270/Q2H997RJ
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM372991
PNG
(US10597366, Compound 63 | US9896418, Compound 63)
Show SMILES O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)CF |r|
Show InChI InChI=1S/C17H11F4NO4S/c18-8-27(24,25)14-2-1-13(12-6-17(20,21)16(23)15(12)14)26-11-4-9(7-22)3-10(19)5-11/h1-5,16,23H,6,8H2/t16-/m0/s1
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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
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM372991
PNG
(US10597366, Compound 63 | US9896418, Compound 63)
Show SMILES O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)CF |r|
Show InChI InChI=1S/C17H11F4NO4S/c18-8-27(24,25)14-2-1-13(12-6-17(20,21)16(23)15(12)14)26-11-4-9(7-22)3-10(19)5-11/h1-5,16,23H,6,8H2/t16-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Peloton Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at HIF-2alpha in human 786-O cells assessed as reduction in VEGFA concentration after 24 hrs by ELISA


J Med Chem 61: 9691-9721 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01196
BindingDB Entry DOI: 10.7270/Q2H997RJ
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM372991
PNG
(US10597366, Compound 63 | US9896418, Compound 63)
Show SMILES O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)CF |r|
Show InChI InChI=1S/C17H11F4NO4S/c18-8-27(24,25)14-2-1-13(12-6-17(20,21)16(23)15(12)14)26-11-4-9(7-22)3-10(19)5-11/h1-5,16,23H,6,8H2/t16-/m0/s1
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n/an/an/an/a 182n/an/an/an/a



Peloton Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at HIF-2alpha in human 786-O cells assessed as free plasma adjusted EC50 for reduction in VEGFA concentration after 24 hrs by ELI...


J Med Chem 61: 9691-9721 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01196
BindingDB Entry DOI: 10.7270/Q2H997RJ
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM372991
PNG
(US10597366, Compound 63 | US9896418, Compound 63)
Show SMILES O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)CF |r|
Show InChI InChI=1S/C17H11F4NO4S/c18-8-27(24,25)14-2-1-13(12-6-17(20,21)16(23)15(12)14)26-11-4-9(7-22)3-10(19)5-11/h1-5,16,23H,6,8H2/t16-/m0/s1
PDB
MMDB

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Article
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n/an/an/an/a 9n/an/an/an/a



Peloton Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at HIF-2alpha in human 786-O cells co-expressing HIF responsive element after 24 hrs by ONE-Glo luciferase reporter gene assay


J Med Chem 61: 9691-9721 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01196
BindingDB Entry DOI: 10.7270/Q2H997RJ
More data for this
Ligand-Target Pair