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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50045099   
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))
BDBM50044996
PNG
(CHEMBL3310408)
Show SMILES CCN(CC)CCNC(=O)Cc1nc(sc1C)-c1ncc(C#N)c(C)c1O
Show InChI InChI=1S/C19H25N5O2S/c1-5-24(6-2)8-7-21-16(25)9-15-13(4)27-19(23-15)17-18(26)12(3)14(10-20)11-22-17/h11,26H,5-9H2,1-4H3,(H,21,25)
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n/an/a 400n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045003
PNG
(CHEMBL3310402)
Show SMILES Cc1c(O)c(ncc1C#N)-c1nc(CC(=O)NCCc2ccccn2)cs1
Show InChI InChI=1S/C19H17N5O2S/c1-12-13(9-20)10-23-17(18(12)26)19-24-15(11-27-19)8-16(25)22-7-5-14-4-2-3-6-21-14/h2-4,6,10-11,26H,5,7-8H2,1H3,(H,22,25)
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n/an/a 700n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045002
PNG
(CHEMBL3310403)
Show SMILES Cc1sc(nc1CC(=O)NCCc1ccccn1)-c1ncc(C#N)c(C)c1O
Show InChI InChI=1S/C20H19N5O2S/c1-12-14(10-21)11-24-18(19(12)27)20-25-16(13(2)28-20)9-17(26)23-8-6-15-5-3-4-7-22-15/h3-5,7,11,27H,6,8-9H2,1-2H3,(H,23,26)
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n/an/a 800n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045006
PNG
(CHEMBL3309273)
Show SMILES Cc1sc(nc1CC(=O)NCCc1ccccn1)-c1ncc(cc1O)C#N
Show InChI InChI=1S/C19H17N5O2S/c1-12-15(9-17(26)22-7-5-14-4-2-3-6-21-14)24-19(27-12)18-16(25)8-13(10-20)11-23-18/h2-4,6,8,11,25H,5,7,9H2,1H3,(H,22,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50044999
PNG
(CHEMBL3310405)
Show SMILES CCNC(=O)Cc1nc(sc1C)-c1ncc(C#N)c(C)c1O
Show InChI InChI=1S/C15H16N4O2S/c1-4-17-12(20)5-11-9(3)22-15(19-11)13-14(21)8(2)10(6-16)7-18-13/h7,21H,4-5H2,1-3H3,(H,17,20)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50044998
PNG
(CHEMBL3310406)
Show SMILES Oc1cc(cnc1-c1nc(CC(=O)N2CCCC2)cs1)C#N
Show InChI InChI=1S/C15H14N4O2S/c16-7-10-5-12(20)14(17-8-10)15-18-11(9-22-15)6-13(21)19-3-1-2-4-19/h5,8-9,20H,1-4,6H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045031
PNG
(CHEMBL3310397)
Show SMILES OC[C@H](NC(=O)Cc1csc(n1)-c1ncc(cc1O)C#N)c1ccccc1
Show InChI InChI=1S/C19H16N4O3S/c20-8-12-6-16(25)18(21-9-12)19-22-14(11-27-19)7-17(26)23-15(10-24)13-4-2-1-3-5-13/h1-6,9,11,15,24-25H,7,10H2,(H,23,26)/t15-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045042
PNG
(CHEMBL3310393)
Show SMILES OC(=O)CNC(=O)Cc1csc(n1)-c1ncc(cc1O)C#N
Show InChI InChI=1S/C13H10N4O4S/c14-3-7-1-9(18)12(16-4-7)13-17-8(6-22-13)2-10(19)15-5-11(20)21/h1,4,6,18H,2,5H2,(H,15,19)(H,20,21)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045030
PNG
(CHEMBL3310398)
Show SMILES OC[C@@H](NC(=O)Cc1csc(n1)-c1ncc(cc1O)C#N)c1ccccc1
Show InChI InChI=1S/C19H16N4O3S/c20-8-12-6-16(25)18(21-9-12)19-22-14(11-27-19)7-17(26)23-15(10-24)13-4-2-1-3-5-13/h1-6,9,11,15,24-25H,7,10H2,(H,23,26)/t15-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045034
PNG
(CHEMBL3310396)
Show SMILES OC(=O)[C@H](NC(=O)Cc1csc(n1)-c1ncc(cc1O)C#N)c1ccccc1
Show InChI InChI=1S/C19H14N4O4S/c20-8-11-6-14(24)17(21-9-11)18-22-13(10-28-18)7-15(25)23-16(19(26)27)12-4-2-1-3-5-12/h1-6,9-10,16,24H,7H2,(H,23,25)(H,26,27)/t16-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045038
PNG
(CHEMBL3310395)
Show SMILES OC(=O)[C@@H](NC(=O)Cc1csc(n1)-c1ncc(cc1O)C#N)c1ccccc1
Show InChI InChI=1S/C19H14N4O4S/c20-8-11-6-14(24)17(21-9-11)18-22-13(10-28-18)7-15(25)23-16(19(26)27)12-4-2-1-3-5-12/h1-6,9-10,16,24H,7H2,(H,23,25)(H,26,27)/t16-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045020
PNG
(CHEMBL3310400)
Show SMILES Oc1cc(cnc1-c1nc(CC(=O)NCCc2ccccn2)cs1)C#N
Show InChI InChI=1S/C18H15N5O2S/c19-9-12-7-15(24)17(22-10-12)18-23-14(11-26-18)8-16(25)21-6-4-13-3-1-2-5-20-13/h1-3,5,7,10-11,24H,4,6,8H2,(H,21,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045029
PNG
(CHEMBL3310399)
Show SMILES Oc1cc(cnc1-c1nc(CC(=O)NCCc2ccccc2)cs1)C#N
Show InChI InChI=1S/C19H16N4O2S/c20-10-14-8-16(24)18(22-11-14)19-23-15(12-26-19)9-17(25)21-7-6-13-4-2-1-3-5-13/h1-5,8,11-12,24H,6-7,9H2,(H,21,25)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50044997
PNG
(CHEMBL3310407)
Show SMILES CCN(CC)CCNC(=O)Cc1csc(n1)-c1ncc(C#N)c(C)c1O
Show InChI InChI=1S/C18H23N5O2S/c1-4-23(5-2)7-6-20-15(24)8-14-11-26-18(22-14)16-17(25)12(3)13(9-19)10-21-16/h10-11,25H,4-8H2,1-3H3,(H,20,24)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
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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n/an/a 3.90E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045043
PNG
(CHEMBL3310392)
Show SMILES Oc1cc(cnc1-c1nc(CC(=O)NCc2ccccc2)cs1)C#N
Show InChI InChI=1S/C18H14N4O2S/c19-8-13-6-15(23)17(21-10-13)18-22-14(11-25-18)7-16(24)20-9-12-4-2-1-3-5-12/h1-6,10-11,23H,7,9H2,(H,20,24)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045001
PNG
(CHEMBL3310404)
Show SMILES Cc1c(O)c(ncc1C#N)-c1nc(CC(=O)NCCc2ccccn2)c(s1)-c1ccccc1
Show InChI InChI=1S/C25H21N5O2S/c1-16-18(14-26)15-29-22(23(16)32)25-30-20(24(33-25)17-7-3-2-4-8-17)13-21(31)28-12-10-19-9-5-6-11-27-19/h2-9,11,15,32H,10,12-13H2,1H3,(H,28,31)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50044978
PNG
(CHEMBL3310391)
Show SMILES OC(=O)Cc1csc(n1)-c1ncc(cc1O)C#N
Show InChI InChI=1S/C11H7N3O3S/c12-3-6-1-8(15)10(13-4-6)11-14-7(5-18-11)2-9(16)17/h1,4-5,15H,2H2,(H,16,17)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045041
PNG
(CHEMBL3310394)
Show SMILES CC(C)(NC(=O)Cc1csc(n1)-c1ncc(cc1O)C#N)C(O)=O
Show InChI InChI=1S/C15H14N4O4S/c1-15(2,14(22)23)19-11(21)4-9-7-24-13(18-9)12-10(20)3-8(5-16)6-17-12/h3,6-7,20H,4H2,1-2H3,(H,19,21)(H,22,23)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50044979
PNG
(CHEMBL3310254)
Show SMILES OC(=O)Cc1cnc([nH]c1=O)-c1ncc(cc1O)C#N
Show InChI InChI=1S/C12H8N4O4/c13-3-6-1-8(17)10(14-4-6)11-15-5-7(2-9(18)19)12(20)16-11/h1,4-5,17H,2H2,(H,18,19)(H,15,16,20)
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n/an/a 1.35E+4n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50045005
PNG
(CHEMBL3310401)
Show SMILES Oc1cc(cnc1-c1nc(CC(=O)NCCc2ccccn2)c(s1)-c1ccccc1)C#N
Show InChI InChI=1S/C24H19N5O2S/c25-14-16-12-20(30)22(28-15-16)24-29-19(23(32-24)17-6-2-1-3-7-17)13-21(31)27-11-9-18-8-4-5-10-26-18/h1-8,10,12,15,30H,9,11,13H2,(H,27,31)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50044983
PNG
(CHEMBL3310251)
Show SMILES OC(=O)Cc1cnc([nH]c1=O)-c1ncccc1O
Show InChI InChI=1S/C11H9N3O4/c15-7-2-1-3-12-9(7)10-13-5-6(4-8(16)17)11(18)14-10/h1-3,5,15H,4H2,(H,16,17)(H,13,14,18)
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n/an/a 2.75E+4n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50044980
PNG
(CHEMBL3310253)
Show SMILES Oc1cccnc1-c1nc(CC(=O)NCc2ccccc2)cs1
Show InChI InChI=1S/C17H15N3O2S/c21-14-7-4-8-18-16(14)17-20-13(11-23-17)9-15(22)19-10-12-5-2-1-3-6-12/h1-8,11,21H,9-10H2,(H,19,22)
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n/an/a 8.10E+4n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50044981
PNG
(CHEMBL3310252)
Show SMILES OC(=O)Cc1csc(n1)-c1ncccc1O
Show InChI InChI=1S/C10H8N2O3S/c13-7-2-1-3-11-9(7)10-12-6(5-16-10)4-8(14)15/h1-3,5,13H,4H2,(H,14,15)
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n/an/a 1.95E+5n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISA


Bioorg Med Chem Lett 24: 3142-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.003
BindingDB Entry DOI: 10.7270/Q2QN68F3
More data for this
Ligand-Target Pair