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Compile Data Set for Download or QSAR

Found 131 hits with Last Name = 'leung' and Initial = 'ik'   
Target
(Institution)
LigandTarget
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
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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1.97E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of human KDM2A expressed in Escherichia coli using 2-oxoglutarate by enzyme kinetic assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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8.50E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Mixed type inhibition of human KDM2A expressed in Escherichia coli assessed inhibition constant for compound-enzyme-substrate complex using methyl ly...


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50424584
PNG
(CHEMBL2312530)
Show SMILES OC(=O)Cc1csc(=NC(=O)CS(=O)(=O)Cc2ccc3ccccc3c2)n1O
Show InChI InChI=1S/C18H16N2O6S2/c21-16(19-18-20(24)15(9-27-18)8-17(22)23)11-28(25,26)10-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,24H,8,10-11H2,(H,22,23)
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n/an/a 20n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis


J Med Chem 56: 547-55 (2013)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50303765
PNG
(2-(3-hydroxy-2-((naphthalen-2-ylsulfonyl)carbonyli...)
Show SMILES OC(=O)Cc1cs\c(=N/C(=O)S(=O)(=O)c2ccc3ccccc3c2)n1O
Show InChI InChI=1S/C16H12N2O6S2/c19-14(20)8-12-9-25-15(18(12)22)17-16(21)26(23,24)13-6-5-10-3-1-2-4-11(10)7-13/h1-7,9,22H,8H2,(H,19,20)/b17-15-
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n/an/a 21n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 at 293K temperature by solvent relaxation technique


J Med Chem 53: 867-75 (2010)

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 70n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis


J Med Chem 56: 547-55 (2013)

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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n/an/a 73n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 at 293K temperature by solvent relaxation technique


J Med Chem 53: 867-75 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Penicillin binding protein 3 (PBP3)


(Pseudomonas aeruginosa)
BDBM50240426
PNG
((2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazi...)
Show SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1
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n/an/a 166n/an/an/an/an/an/a



University of Oxford



Assay Description
An appropriate amount of enzyme (4uM) was pre-incubated with the (5R)- or 5(S)-penicilloic acid in the assay buffer (50mM HEPES-NaOH buffer (pH 7.2) ...


ACS Chem Biol 8: 2112-6 (2013)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a 200n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a 250n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a 370n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 400n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 430n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a 480n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a 480n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50277935
PNG
((S)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)
Show SMILES C[C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O
Show InChI InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/t6-/m0/s1
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n/an/a 512n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 at 293K temperature by solvent relaxation technique


J Med Chem 53: 867-75 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a 550n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50197063
PNG
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)
Show SMILES CC(=O)CC(=O)CCC(O)=O
Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
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n/an/a 570n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B (KDM6B)


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM6B catalytic domain expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli by formaldehyde dehydrogenase coupled assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis


J Med Chem 56: 547-55 (2013)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7


(Homo sapiens)
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM7A catalytic domain expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50197063
PNG
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)
Show SMILES CC(=O)CC(=O)CCC(O)=O
Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395082
PNG
(CHEMBL2164247)
Show SMILES CN(C)N(C)C(=O)CCC(O)=O
Show InChI InChI=1S/C7H14N2O3/c1-8(2)9(3)6(10)4-5-7(11)12/h4-5H2,1-3H3,(H,11,12)
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50197063
PNG
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)
Show SMILES CC(=O)CC(=O)CCC(O)=O
Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50395080
PNG
(CHEMBL2164249)
Show SMILES CN(C)OC(=O)CCC(O)=O
Show InChI InChI=1S/C6H11NO4/c1-7(2)11-6(10)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 expressed in Escherichia coli by fluorescence based assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50395080
PNG
(CHEMBL2164249)
Show SMILES CN(C)OC(=O)CCC(O)=O
Show InChI InChI=1S/C6H11NO4/c1-7(2)11-6(10)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395080
PNG
(CHEMBL2164249)
Show SMILES CN(C)OC(=O)CCC(O)=O
Show InChI InChI=1S/C6H11NO4/c1-7(2)11-6(10)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50395082
PNG
(CHEMBL2164247)
Show SMILES CN(C)N(C)C(=O)CCC(O)=O
Show InChI InChI=1S/C7H14N2O3/c1-8(2)9(3)6(10)4-5-7(11)12/h4-5H2,1-3H3,(H,11,12)
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n/an/a 1.15E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
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n/an/a 1.42E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 expressed in Escherichia coli by fluorescence based assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50396018
PNG
(CHEMBL1230640)
Show SMILES OC(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis


J Med Chem 56: 547-55 (2013)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B (KDM6B)


(Homo sapiens (Human))
BDBM50197063
PNG
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)
Show SMILES CC(=O)CC(=O)CCC(O)=O
Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
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n/an/a 1.65E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM6B catalytic domain expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/a 1.85E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 at 293K temperature by solvent relaxation technique


J Med Chem 53: 867-75 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 1.96E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 expressed in Escherichia coli by fluorescence based assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis


J Med Chem 56: 547-55 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone Lysine Demethylase


(Homo sapiens (human))
BDBM50197063
PNG
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)
Show SMILES CC(=O)CC(=O)CCC(O)=O
Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
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n/an/a 2.39E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 7B (KDM7B)


(Homo sapiens (Human))
BDBM50395079
PNG
(CHEMBL2164244)
Show SMILES C[N+](C)(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C7H14N2O3/c1-9(2,3)8-6(10)4-5-7(11)12/h4-5H2,1-3H3,(H-,8,10,11,12)/p+1
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B (KDM6B)


(Homo sapiens (Human))
BDBM50395080
PNG
(CHEMBL2164249)
Show SMILES CN(C)OC(=O)CCC(O)=O
Show InChI InChI=1S/C6H11NO4/c1-7(2)11-6(10)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)
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n/an/a 4.17E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM6B catalytic domain expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50395080
PNG
(CHEMBL2164249)
Show SMILES CN(C)OC(=O)CCC(O)=O
Show InChI InChI=1S/C6H11NO4/c1-7(2)11-6(10)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 2A


(Homo sapiens)
BDBM50395079
PNG
(CHEMBL2164244)
Show SMILES C[N+](C)(C)NC(=O)CCC(O)=O
Show InChI InChI=1S/C7H14N2O3/c1-9(2,3)8-6(10)4-5-7(11)12/h4-5H2,1-3H3,(H-,8,10,11,12)/p+1
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n/an/a 6.30E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM26121
PNG
(Substrate analogue, 11 | Succinate | Succinic acid...)
Show SMILES OC(=O)CCC(O)=O
Show InChI InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
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n/an/a 8.53E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 at 293K temperature by solvent relaxation technique


J Med Chem 53: 867-75 (2010)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human FIH expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX1 by fluorescence based assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Egl nine homolog 1


(Homo sapiens (Human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human PHD2 expressed in Escherichia coli by fluorescence based assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 (FIH)


(Homo sapiens (Human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human FIH expressed in Escherichia coli by MALDI assay


J Med Chem 55: 6639-43 (2012)

More data for this
Ligand-Target Pair
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