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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'pugh' and Initial = 'cw'   
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
Histone Lysine Demethylase


(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>2.00E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(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>2.00E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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>2.00E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Jumonji domain-containing protein 2C (JMJD2C)


(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>2.00E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(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>2.00E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Jumonji domain-containing protein 2A (JMJD2A)


(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>2.00E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Jumonji domain-containing protein 2A (JMJD2A)


(Homo sapiens (Human))
BDBM103845
PNG
(4HQ derivative 8)
Show SMILES CCCCCCCc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H24N2O4/c1-2-3-4-5-6-11-15-13-9-7-8-10-14(13)18(24)17(21-15)19(25)20-12-16(22)23/h7-10,24H,2-6,11-12H2,1H3,(H,20,25)(H,22,23)
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n/an/a 4.30E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM103843
PNG
(4HQ derivative 6)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C19H16N2O4/c22-16(23)11-20-19(25)17-18(24)14-9-5-4-8-13(14)15(21-17)10-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)
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n/an/a 5.20E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Jumonji domain-containing protein 2C (JMJD2C)


(Homo sapiens (Human))
BDBM103845
PNG
(4HQ derivative 8)
Show SMILES CCCCCCCc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H24N2O4/c1-2-3-4-5-6-11-15-13-9-7-8-10-14(13)18(24)17(21-15)19(25)20-12-16(22)23/h7-10,24H,2-6,11-12H2,1H3,(H,20,25)(H,22,23)
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n/an/a 8.60E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Jumonji domain-containing protein 2C (JMJD2C)


(Homo sapiens (Human))
BDBM103846
PNG
(4HQ derivative 9)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccc(Br)cc2c1O
Show InChI InChI=1S/C19H15BrN2O4/c20-12-6-7-13-14(9-12)18(25)17(19(26)21-10-16(23)24)22-15(13)8-11-4-2-1-3-5-11/h1-7,9,25H,8,10H2,(H,21,26)(H,23,24)
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n/an/a 9.30E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM103845
PNG
(4HQ derivative 8)
Show SMILES CCCCCCCc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H24N2O4/c1-2-3-4-5-6-11-15-13-9-7-8-10-14(13)18(24)17(21-15)19(25)20-12-16(22)23/h7-10,24H,2-6,11-12H2,1H3,(H,20,25)(H,22,23)
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n/an/a 9.90E+4n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM103845
PNG
(4HQ derivative 8)
Show SMILES CCCCCCCc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H24N2O4/c1-2-3-4-5-6-11-15-13-9-7-8-10-14(13)18(24)17(21-15)19(25)20-12-16(22)23/h7-10,24H,2-6,11-12H2,1H3,(H,20,25)(H,22,23)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM103846
PNG
(4HQ derivative 9)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccc(Br)cc2c1O
Show InChI InChI=1S/C19H15BrN2O4/c20-12-6-7-13-14(9-12)18(25)17(19(26)21-10-16(23)24)22-15(13)8-11-4-2-1-3-5-11/h1-7,9,25H,8,10H2,(H,21,26)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM103842
PNG
(4HQ derivative 4)
Show SMILES Cc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C13H12N2O4/c1-7-8-4-2-3-5-9(8)12(18)11(15-7)13(19)14-6-10(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM103843
PNG
(4HQ derivative 6)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C19H16N2O4/c22-16(23)11-20-19(25)17-18(24)14-9-5-4-8-13(14)15(21-17)10-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM103844
PNG
(4HQ derivative 7)
Show SMILES OC(=O)CNC(=O)c1nc(CC=C)c2ccccc2c1O
Show InChI InChI=1S/C15H14N2O4/c1-2-5-11-9-6-3-4-7-10(9)14(20)13(17-11)15(21)16-8-12(18)19/h2-4,6-7,20H,1,5,8H2,(H,16,21)(H,18,19)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM103845
PNG
(4HQ derivative 8)
Show SMILES CCCCCCCc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H24N2O4/c1-2-3-4-5-6-11-15-13-9-7-8-10-14(13)18(24)17(21-15)19(25)20-12-16(22)23/h7-10,24H,2-6,11-12H2,1H3,(H,20,25)(H,22,23)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM103846
PNG
(4HQ derivative 9)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccc(Br)cc2c1O
Show InChI InChI=1S/C19H15BrN2O4/c20-12-6-7-13-14(9-12)18(25)17(19(26)21-10-16(23)24)22-15(13)8-11-4-2-1-3-5-11/h1-7,9,25H,8,10H2,(H,21,26)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM103842
PNG
(4HQ derivative 4)
Show SMILES Cc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C13H12N2O4/c1-7-8-4-2-3-5-9(8)12(18)11(15-7)13(19)14-6-10(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17)
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n/an/a 1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM103844
PNG
(4HQ derivative 7)
Show SMILES OC(=O)CNC(=O)c1nc(CC=C)c2ccccc2c1O
Show InChI InChI=1S/C15H14N2O4/c1-2-5-11-9-6-3-4-7-10(9)14(20)13(17-11)15(21)16-8-12(18)19/h2-4,6-7,20H,1,5,8H2,(H,16,21)(H,18,19)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM103843
PNG
(4HQ derivative 6)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C19H16N2O4/c22-16(23)11-20-19(25)17-18(24)14-9-5-4-8-13(14)15(21-17)10-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM103842
PNG
(4HQ derivative 4)
Show SMILES Cc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C13H12N2O4/c1-7-8-4-2-3-5-9(8)12(18)11(15-7)13(19)14-6-10(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM103844
PNG
(4HQ derivative 7)
Show SMILES OC(=O)CNC(=O)c1nc(CC=C)c2ccccc2c1O
Show InChI InChI=1S/C15H14N2O4/c1-2-5-11-9-6-3-4-7-10(9)14(20)13(17-11)15(21)16-8-12(18)19/h2-4,6-7,20H,1,5,8H2,(H,16,21)(H,18,19)
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University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM103843
PNG
(4HQ derivative 6)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C19H16N2O4/c22-16(23)11-20-19(25)17-18(24)14-9-5-4-8-13(14)15(21-17)10-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)
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University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM103842
PNG
(4HQ derivative 4)
Show SMILES Cc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C13H12N2O4/c1-7-8-4-2-3-5-9(8)12(18)11(15-7)13(19)14-6-10(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Jumonji domain-containing protein 2C (JMJD2C)


(Homo sapiens (Human))
BDBM103844
PNG
(4HQ derivative 7)
Show SMILES OC(=O)CNC(=O)c1nc(CC=C)c2ccccc2c1O
Show InChI InChI=1S/C15H14N2O4/c1-2-5-11-9-6-3-4-7-10(9)14(20)13(17-11)15(21)16-8-12(18)19/h2-4,6-7,20H,1,5,8H2,(H,16,21)(H,18,19)
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University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Jumonji domain-containing protein 2C (JMJD2C)


(Homo sapiens (Human))
BDBM103843
PNG
(4HQ derivative 6)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C19H16N2O4/c22-16(23)11-20-19(25)17-18(24)14-9-5-4-8-13(14)15(21-17)10-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)
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University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Jumonji domain-containing protein 2C (JMJD2C)


(Homo sapiens (Human))
BDBM103842
PNG
(4HQ derivative 4)
Show SMILES Cc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C13H12N2O4/c1-7-8-4-2-3-5-9(8)12(18)11(15-7)13(19)14-6-10(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17)
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University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Jumonji domain-containing protein 2A (JMJD2A)


(Homo sapiens (Human))
BDBM103844
PNG
(4HQ derivative 7)
Show SMILES OC(=O)CNC(=O)c1nc(CC=C)c2ccccc2c1O
Show InChI InChI=1S/C15H14N2O4/c1-2-5-11-9-6-3-4-7-10(9)14(20)13(17-11)15(21)16-8-12(18)19/h2-4,6-7,20H,1,5,8H2,(H,16,21)(H,18,19)
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University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Jumonji domain-containing protein 2A (JMJD2A)


(Homo sapiens (Human))
BDBM103843
PNG
(4HQ derivative 6)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C19H16N2O4/c22-16(23)11-20-19(25)17-18(24)14-9-5-4-8-13(14)15(21-17)10-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)
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University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Jumonji domain-containing protein 2A (JMJD2A)


(Homo sapiens (Human))
BDBM103842
PNG
(4HQ derivative 4)
Show SMILES Cc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C13H12N2O4/c1-7-8-4-2-3-5-9(8)12(18)11(15-7)13(19)14-6-10(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17)
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n/an/a>1.00E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM103846
PNG
(4HQ derivative 9)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccc(Br)cc2c1O
Show InChI InChI=1S/C19H15BrN2O4/c20-12-6-7-13-14(9-12)18(25)17(19(26)21-10-16(23)24)22-15(13)8-11-4-2-1-3-5-11/h1-7,9,25H,8,10H2,(H,21,26)(H,23,24)
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University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM103846
PNG
(4HQ derivative 9)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccc(Br)cc2c1O
Show InChI InChI=1S/C19H15BrN2O4/c20-12-6-7-13-14(9-12)18(25)17(19(26)21-10-16(23)24)22-15(13)8-11-4-2-1-3-5-11/h1-7,9,25H,8,10H2,(H,21,26)(H,23,24)
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University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM103845
PNG
(4HQ derivative 8)
Show SMILES CCCCCCCc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H24N2O4/c1-2-3-4-5-6-11-15-13-9-7-8-10-14(13)18(24)17(21-15)19(25)20-12-16(22)23/h7-10,24H,2-6,11-12H2,1H3,(H,20,25)(H,22,23)
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University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM103844
PNG
(4HQ derivative 7)
Show SMILES OC(=O)CNC(=O)c1nc(CC=C)c2ccccc2c1O
Show InChI InChI=1S/C15H14N2O4/c1-2-5-11-9-6-3-4-7-10(9)14(20)13(17-11)15(21)16-8-12(18)19/h2-4,6-7,20H,1,5,8H2,(H,16,21)(H,18,19)
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University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM103845
PNG
(4HQ derivative 8)
Show SMILES CCCCCCCc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H24N2O4/c1-2-3-4-5-6-11-15-13-9-7-8-10-14(13)18(24)17(21-15)19(25)20-12-16(22)23/h7-10,24H,2-6,11-12H2,1H3,(H,20,25)(H,22,23)
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n/an/a 1.23E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM103843
PNG
(4HQ derivative 6)
Show SMILES OC(=O)CNC(=O)c1nc(Cc2ccccc2)c2ccccc2c1O
Show InChI InChI=1S/C19H16N2O4/c22-16(23)11-20-19(25)17-18(24)14-9-5-4-8-13(14)15(21-17)10-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)
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n/an/a 1.59E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM103842
PNG
(4HQ derivative 4)
Show SMILES Cc1nc(C(=O)NCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C13H12N2O4/c1-7-8-4-2-3-5-9(8)12(18)11(15-7)13(19)14-6-10(16)17/h2-5,18H,6H2,1H3,(H,14,19)(H,16,17)
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n/an/a 4.43E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM103844
PNG
(4HQ derivative 7)
Show SMILES OC(=O)CNC(=O)c1nc(CC=C)c2ccccc2c1O
Show InChI InChI=1S/C15H14N2O4/c1-2-5-11-9-6-3-4-7-10(9)14(20)13(17-11)15(21)16-8-12(18)19/h2-4,6-7,20H,1,5,8H2,(H,16,21)(H,18,19)
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n/an/a 4.65E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(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 5.50E+5n/an/an/an/a7.5n/a



University of Oxford



Assay Description
Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...


ACS Chem Biol 8: 1488-96 (2013)


Article DOI: 10.1021/cb400088q
BindingDB Entry DOI: 10.7270/Q29Z93HF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 1


(Homo sapiens (Human))
BDBM50126536
PNG
((1-Hydroxy-2,5-dioxo-pyrrolidin-3-yl)-acetic acid ...)
Show SMILES ON1C(=O)CC(CC(O)=O)C1=O
Show InChI InChI=1S/C6H7NO5/c8-4-1-3(2-5(9)10)6(11)7(4)12/h3,12H,1-2H2,(H,9,10)
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n/an/a 1.00E+6n/an/an/an/an/an/a



Oxford Centre for Molecular Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against purified fusion of maltose binding with PHD1 as enzyme and (HIF) human prolyl hydroxylases as substrate


Bioorg Med Chem Lett 13: 1451-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZP45HH
More data for this
Ligand-Target Pair