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Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'haugh' and Initial = 'pv'   
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))
BDBM50418047
PNG
(CHEMBL1688407 | US10851083, Example 30 | US1161874...)
Show SMILES OC(=O)c1cnn(c1)-c1nc2cc(c(Cl)cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C12H6ClF3N4O2/c13-7-2-9-8(1-6(7)12(14,15)16)18-11(19-9)20-4-5(3-17-20)10(21)22/h1-4H,(H,18,19)(H,21,22)
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n/an/a 79.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418044
PNG
(CHEMBL1229508 | US10851083, Example 4 | US11618744...)
Show SMILES OC(=O)c1cnn(c1)-c1nc2cc(Cl)c(F)cc2[nH]1
Show InChI InChI=1S/C11H6ClFN4O2/c12-6-1-8-9(2-7(6)13)16-11(15-8)17-4-5(3-14-17)10(18)19/h1-4H,(H,15,16)(H,18,19)
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n/an/a 79.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418048
PNG
(CHEMBL1688408 | US10851083, Example 129 | US116187...)
Show SMILES OC(=O)c1cnn(c1)-c1nc2cc(c(F)cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C12H6F4N4O2/c13-7-2-9-8(1-6(7)12(14,15)16)18-11(19-9)20-4-5(3-17-20)10(21)22/h1-4H,(H,18,19)(H,21,22)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418046
PNG
(CHEMBL1688406)
Show SMILES OC(=O)c1cnn(c1)-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C12H6BrF3N4O3/c13-7-1-6(23-12(14,15)16)2-8-9(7)19-11(18-8)20-4-5(3-17-20)10(21)22/h1-4H,(H,18,19)(H,21,22)
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n/an/a 158n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418045
PNG
(CHEMBL1688405)
Show SMILES OC(=O)c1cnn(c1)-c1nc2ccc(OC(F)(F)F)cc2[nH]1
Show InChI InChI=1S/C12H7F3N4O3/c13-12(14,15)22-7-1-2-8-9(3-7)18-11(17-8)19-5-6(4-16-19)10(20)21/h1-5H,(H,17,18)(H,20,21)
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n/an/a 316n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418043
PNG
(CHEMBL1688404)
Show SMILES COc1ccc2nc([nH]c2c1)-n1cc(cn1)C(O)=O
Show InChI InChI=1S/C12H10N4O3/c1-19-8-2-3-9-10(4-8)15-12(14-9)16-6-7(5-13-16)11(17)18/h2-6H,1H3,(H,14,15)(H,17,18)
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n/an/a 398n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418042
PNG
(CHEMBL1688403)
Show SMILES OC(=O)c1cnn(c1)-c1nc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C11H7BrN4O2/c12-7-1-2-8-9(3-7)15-11(14-8)16-5-6(4-13-16)10(17)18/h1-5H,(H,14,15)(H,17,18)
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n/an/a 398n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418041
PNG
(CHEMBL1688402 | US10851083, Example 1 | US11618744...)
Show SMILES OC(=O)c1cnn(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C11H8N4O2/c16-10(17)7-5-12-15(6-7)11-13-8-3-1-2-4-9(8)14-11/h1-6H,(H,13,14)(H,16,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418034
PNG
(CHEMBL1230217)
Show SMILES OC(=O)CNC(=O)c1nc2cc(Cl)c(Cl)cc2[nH]1
Show InChI InChI=1S/C10H7Cl2N3O3/c11-4-1-6-7(2-5(4)12)15-9(14-6)10(18)13-3-8(16)17/h1-2H,3H2,(H,13,18)(H,14,15)(H,16,17)
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n/an/a 1.26E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418038
PNG
(CHEMBL1688399)
Show SMILES OC(=O)CNC(=O)c1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H7F6N3O3/c13-11(14,15)4-1-5(12(16,17)18)8-6(2-4)20-9(21-8)10(24)19-3-7(22)23/h1-2H,3H2,(H,19,24)(H,20,21)(H,22,23)
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418035
PNG
(CHEMBL1688396)
Show SMILES OC(=O)CNC(=O)c1nc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C10H8BrN3O3/c11-5-1-2-6-7(3-5)14-9(13-6)10(17)12-4-8(15)16/h1-3H,4H2,(H,12,17)(H,13,14)(H,15,16)
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n/an/a 2.51E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418039
PNG
(CHEMBL1688400)
Show SMILES C[C@H](NC(=O)c1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C13H9F6N3O3/c1-4(11(24)25)20-10(23)9-21-7-3-5(12(14,15)16)2-6(8(7)22-9)13(17,18)19/h2-4H,1H3,(H,20,23)(H,21,22)(H,24,25)/t4-/m0/s1
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n/an/a 5.01E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418037
PNG
(CHEMBL1688398)
Show SMILES COc1ccc2nc([nH]c2c1)C(=O)NCC(O)=O
Show InChI InChI=1S/C11H11N3O4/c1-18-6-2-3-7-8(4-6)14-10(13-7)11(17)12-5-9(15)16/h2-4H,5H2,1H3,(H,12,17)(H,13,14)(H,15,16)
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n/an/a 5.01E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418040
PNG
(CHEMBL1688401)
Show SMILES C[C@@H](NC(=O)c1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C13H9F6N3O3/c1-4(11(24)25)20-10(23)9-21-7-3-5(12(14,15)16)2-6(8(7)22-9)13(17,18)19/h2-4H,1H3,(H,20,23)(H,21,22)(H,24,25)/t4-/m1/s1
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n/an/a 7.94E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418036
PNG
(CHEMBL1688397)
Show SMILES OC(=O)CNC(=O)c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C10H8FN3O3/c11-5-1-2-6-7(3-5)14-9(13-6)10(17)12-4-8(15)16/h1-3H,4H2,(H,12,17)(H,13,14)(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50418033
PNG
(CHEMBL1688395)
Show SMILES OC(=O)CNC(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H9N3O3/c14-8(15)5-11-10(16)9-12-6-3-1-2-4-7(6)13-9/h1-4H,5H2,(H,11,16)(H,12,13)(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PHD2


ACS Med Chem Lett 1: 526-529 (2010)


Article DOI: 10.1021/ml100198y
BindingDB Entry DOI: 10.7270/Q28053VF
More data for this
Ligand-Target Pair