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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Egl nine homolog 1' and Ligand = 'BDBM107704'   
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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM107704
PNG
(US11426393, Compound Table XV.11 | US8598210, 119 ...)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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n/an/a 29n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PHD2 using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-asc...


Bioorg Med Chem 27: 2405-2412 (2019)


Article DOI: 10.1016/j.bmc.2019.01.018
BindingDB Entry DOI: 10.7270/Q2KK9G4R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM107704
PNG
(US11426393, Compound Table XV.11 | US8598210, 119 ...)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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n/an/a 29n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00415
BindingDB Entry DOI: 10.7270/Q2CN7810
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM107704
PNG
(US11426393, Compound Table XV.11 | US8598210, 119 ...)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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US Patent
n/an/a 410n/an/an/an/an/a25



Akebia Therapeutics, Inc.

US Patent


Assay Description
The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-T...


US Patent US8722895 (2014)


BindingDB Entry DOI: 10.7270/Q25Q4TRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM107704
PNG
(US11426393, Compound Table XV.11 | US8598210, 119 ...)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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n/an/a 410n/an/an/an/an/an/a



University of California at Los Angeles



Assay Description
The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-T...


Bioorg Med Chem 17: 7174-85 (2009)


BindingDB Entry DOI: 10.7270/Q2D50Q9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM107704
PNG
(US11426393, Compound Table XV.11 | US8598210, 119 ...)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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n/an/a 410n/an/an/an/an/an/a



Akebia Therapeutics, Inc.

US Patent


Assay Description
The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-T...


US Patent US8598210 (2013)


BindingDB Entry DOI: 10.7270/Q2M04428
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM107704
PNG
(US11426393, Compound Table XV.11 | US8598210, 119 ...)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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n/an/a 410n/an/an/an/an/an/a



Akebia Therapeutics, Inc.

US Patent


Assay Description
The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-T...


US Patent US9598370 (2017)


BindingDB Entry DOI: 10.7270/Q20G3N64
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM107704
PNG
(US11426393, Compound Table XV.11 | US8598210, 119 ...)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of California at Los Angeles



Assay Description
The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-T...


Bioorg Med Chem 17: 7174-85 (2009)


BindingDB Entry DOI: 10.7270/Q2D50Q9S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM107704
PNG
(US11426393, Compound Table XV.11 | US8598210, 119 ...)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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n/an/a 1.10E+3n/an/an/an/an/a25



Akebia Therapeutics, Inc.

US Patent


Assay Description
The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-T...


US Patent US8722895 (2014)


BindingDB Entry DOI: 10.7270/Q25Q4TRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM107704
PNG
(US11426393, Compound Table XV.11 | US8598210, 119 ...)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Akebia Therapeutics, Inc.

US Patent


Assay Description
The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-T...


US Patent US8598210 (2013)


BindingDB Entry DOI: 10.7270/Q2M04428
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM107704
PNG
(US11426393, Compound Table XV.11 | US8598210, 119 ...)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
PDB
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n/an/a 1.10E+3n/an/an/an/an/an/a



Akebia Therapeutics, Inc.

US Patent


Assay Description
The EGLN-1 (or EGLN-3) enzyme activity is determined using mass spectrometry (matrix-assisted laser desorption ionization, time-of-flight MS, MALDI-T...


US Patent US9598370 (2017)


BindingDB Entry DOI: 10.7270/Q20G3N64
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM107704
PNG
(US11426393, Compound Table XV.11 | US8598210, 119 ...)
Show SMILES OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of HIF-PHD2 (unknown origin) expressed in insect Hi5 cells using peptide as substrate


J Med Chem 61: 6964-6982 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01686
BindingDB Entry DOI: 10.7270/Q2H70JC7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)