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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Egl nine homolog 1' and Ligand = 'BDBM118339'   
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))
BDBM118339
PNG
(US8653111, 72)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1
Show InChI InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2
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n/an/a 7n/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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM118339
PNG
(US8653111, 72)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1
Show InChI InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2
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n/an/a 7n/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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM118339
PNG
(US8653111, 72)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1
Show InChI InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2
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n/an/a 280n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 (unknown origin) using biotinylated HIF-1alpha (558 to 574 residues) as substrate after 1 hr by homogeneous time-resolved fluoresc...


ACS Med Chem Lett 6: 1236-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00394
BindingDB Entry DOI: 10.7270/Q2RB76G9
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM118339
PNG
(US8653111, 72)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1
Show InChI InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2
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n/an/a 280n/an/an/an/an/an/a



Cadila Healthcare Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HIF-PHD2 expressed in baculovirus-infected Sf9 cells using biotin labelled DLDLEMLAPYIPMDDDFQL as substrate preincuba...


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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM118339
PNG
(US8653111, 72)
Show SMILES O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1
Show InChI InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 876n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of FITC-HIF-1alpha (556 to 574 residues) from PHD2 (181 to 426 residues) (unknown origin) after 60 mins by fluorescence polarization ass...


ACS Med Chem Lett 6: 1236-40 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00394
BindingDB Entry DOI: 10.7270/Q2RB76G9
More data for this
Ligand-Target Pair