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PubMed code 26713111

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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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Article
PubMed
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))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PHD2 (unknown origin) catalytic domain (181 to 426 residues) expressed in Escherichia coli BL21 (DE3) cells using boitinyla...


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
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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Article
PubMed
n/an/a 424n/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
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50431015
PNG
(CHEMBL2338329 | US10889546, FG-4592 | US9115085, C...)
Show SMILES Cc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccccc3)cc12
Show InChI InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)
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Article
PubMed
n/an/a 591n/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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM107698
PNG
(US11426393, Compound Table XV.4 | US8598210, Table...)
Show SMILES Cc1ccc(cc1)-c1cnc(C(=O)NCC(O)=O)c(O)c1
Show InChI InChI=1S/C15H14N2O4/c1-9-2-4-10(5-3-9)11-6-12(18)14(16-7-11)15(21)17-8-13(19)20/h2-7,18H,8H2,1H3,(H,17,21)(H,19,20)
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PubMed
n/an/a 650n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PHD2 (179 to 426 residues) using HIF-1alpha (556 to 574 residues) as substrate after 20 mins by MALDI-TOF MS analysis


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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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
Egl nine homolog 1


(Homo sapiens (Human))
BDBM107698
PNG
(US11426393, Compound Table XV.4 | US8598210, Table...)
Show SMILES Cc1ccc(cc1)-c1cnc(C(=O)NCC(O)=O)c(O)c1
Show InChI InChI=1S/C15H14N2O4/c1-9-2-4-10(5-3-9)11-6-12(18)14(16-7-11)15(21)17-8-13(19)20/h2-7,18H,8H2,1H3,(H,17,21)(H,19,20)
PDB
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Article
PubMed
n/an/a 890n/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
* indicates data uncertainty>20%