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Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'van der porten' and Initial = 'e'   
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
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158830
PNG
(CHEMBL3785583)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)(C)C
Show InChI InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3
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n/an/a 4.70n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50158830
PNG
(CHEMBL3785583)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)(C)C
Show InChI InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3
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n/an/a 4.70n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532923
PNG
(CHEMBL4594120)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cn[nH]c1
Show InChI InChI=1S/C13H12N6O/c1-7(2)10-11(9-4-15-16-5-9)18-12-8(3-14)6-17-19(12)13(10)20/h4-7,18H,1-2H3,(H,15,16)
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n/an/a 5.30n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532923
PNG
(CHEMBL4594120)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cn[nH]c1
Show InChI InChI=1S/C13H12N6O/c1-7(2)10-11(9-4-15-16-5-9)18-12-8(3-14)6-17-19(12)13(10)20/h4-7,18H,1-2H3,(H,15,16)
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532929
PNG
(CHEMBL4548921)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C19H16N6O/c1-12(2)16-17(23-18-13(8-20)9-22-25(18)19(16)26)14-10-21-24(11-14)15-6-4-3-5-7-15/h3-7,9-12,23H,1-2H3
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n/an/a 5.60n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532929
PNG
(CHEMBL4548921)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C19H16N6O/c1-12(2)16-17(23-18-13(8-20)9-22-25(18)19(16)26)14-10-21-24(11-14)15-6-4-3-5-7-15/h3-7,9-12,23H,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532960
PNG
(CHEMBL4518175)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccco1
Show InChI InChI=1S/C14H12N4O2/c1-8(2)11-12(10-4-3-5-20-10)17-13-9(6-15)7-16-18(13)14(11)19/h3-5,7-8,17H,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532960
PNG
(CHEMBL4518175)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccco1
Show InChI InChI=1S/C14H12N4O2/c1-8(2)11-12(10-4-3-5-20-10)17-13-9(6-15)7-16-18(13)14(11)19/h3-5,7-8,17H,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532962
PNG
(CHEMBL4469253)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C1CC1
Show InChI InChI=1S/C16H16N6O/c1-9(2)13-14(11-7-18-21(8-11)12-3-4-12)20-15-10(5-17)6-19-22(15)16(13)23/h6-9,12,20H,3-4H2,1-2H3
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n/an/a 7.90n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532962
PNG
(CHEMBL4469253)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C1CC1
Show InChI InChI=1S/C16H16N6O/c1-9(2)13-14(11-7-18-21(8-11)12-3-4-12)20-15-10(5-17)6-19-22(15)16(13)23/h6-9,12,20H,3-4H2,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532946
PNG
(CHEMBL4435805)
Show SMILES O=c1c(C2CCC2)c([nH]c2c(cnn12)C#N)-c1ccccc1
Show InChI InChI=1S/C17H14N4O/c18-9-13-10-19-21-16(13)20-15(12-5-2-1-3-6-12)14(17(21)22)11-7-4-8-11/h1-3,5-6,10-11,20H,4,7-8H2
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n/an/a 9.20n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532946
PNG
(CHEMBL4435805)
Show SMILES O=c1c(C2CCC2)c([nH]c2c(cnn12)C#N)-c1ccccc1
Show InChI InChI=1S/C17H14N4O/c18-9-13-10-19-21-16(13)20-15(12-5-2-1-3-6-12)14(17(21)22)11-7-4-8-11/h1-3,5-6,10-11,20H,4,7-8H2
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM191596
PNG
(6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...)
Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N
Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3
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n/an/a 9.30n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM191596
PNG
(6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...)
Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N
Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3
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n/an/a 9.30n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532953
PNG
(CHEMBL4525674)
Show SMILES CCc1[nH]c2c(cnn2c(=O)c1C(C)C)C#N
Show InChI InChI=1S/C12H14N4O/c1-4-9-10(7(2)3)12(17)16-11(15-9)8(5-13)6-14-16/h6-7,15H,4H2,1-3H3
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n/an/a 9.5n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532953
PNG
(CHEMBL4525674)
Show SMILES CCc1[nH]c2c(cnn2c(=O)c1C(C)C)C#N
Show InChI InChI=1S/C12H14N4O/c1-4-9-10(7(2)3)12(17)16-11(15-9)8(5-13)6-14-16/h6-7,15H,4H2,1-3H3
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n/an/a 9.5n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532922
PNG
(CHEMBL4464271)
Show SMILES COCCn1cc(cn1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N
Show InChI InChI=1S/C16H18N6O2/c1-10(2)13-14(12-8-18-21(9-12)4-5-24-3)20-15-11(6-17)7-19-22(15)16(13)23/h7-10,20H,4-5H2,1-3H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532933
PNG
(CHEMBL4468139)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cncnc1
Show InChI InChI=1S/C14H12N6O/c1-8(2)11-12(10-4-16-7-17-5-10)19-13-9(3-15)6-18-20(13)14(11)21/h4-8,19H,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532958
PNG
(CHEMBL4444473)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(CCC#N)c1
Show InChI InChI=1S/C16H15N7O/c1-10(2)13-14(12-8-19-22(9-12)5-3-4-17)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,3,5H2,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532922
PNG
(CHEMBL4464271)
Show SMILES COCCn1cc(cn1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N
Show InChI InChI=1S/C16H18N6O2/c1-10(2)13-14(12-8-18-21(9-12)4-5-24-3)20-15-11(6-17)7-19-22(15)16(13)23/h7-10,20H,4-5H2,1-3H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532958
PNG
(CHEMBL4444473)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(CCC#N)c1
Show InChI InChI=1S/C16H15N7O/c1-10(2)13-14(12-8-19-22(9-12)5-3-4-17)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,3,5H2,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532933
PNG
(CHEMBL4468139)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cncnc1
Show InChI InChI=1S/C14H12N6O/c1-8(2)11-12(10-4-16-7-17-5-10)19-13-9(3-15)6-18-20(13)14(11)21/h4-8,19H,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532930
PNG
(CHEMBL4542354)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C1CCC1
Show InChI InChI=1S/C17H18N6O/c1-10(2)14-15(12-8-19-22(9-12)13-4-3-5-13)21-16-11(6-18)7-20-23(16)17(14)24/h7-10,13,21H,3-5H2,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532931
PNG
(CHEMBL4587659)
Show SMILES CCn1cc(cn1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N
Show InChI InChI=1S/C15H16N6O/c1-4-20-8-11(7-17-20)13-12(9(2)3)15(22)21-14(19-13)10(5-16)6-18-21/h6-9,19H,4H2,1-3H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532930
PNG
(CHEMBL4542354)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C1CCC1
Show InChI InChI=1S/C17H18N6O/c1-10(2)14-15(12-8-19-22(9-12)13-4-3-5-13)21-16-11(6-18)7-20-23(16)17(14)24/h7-10,13,21H,3-5H2,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532931
PNG
(CHEMBL4587659)
Show SMILES CCn1cc(cn1)-c1[nH]c2c(cnn2c(=O)c1C(C)C)C#N
Show InChI InChI=1S/C15H16N6O/c1-4-20-8-11(7-17-20)13-12(9(2)3)15(22)21-14(19-13)10(5-16)6-18-21/h6-9,19H,4H2,1-3H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532942
PNG
(CHEMBL4567032)
Show SMILES CC(C)c1c(Cc2ccccc2)[nH]c2c(cnn2c1=O)C#N
Show InChI InChI=1S/C17H16N4O/c1-11(2)15-14(8-12-6-4-3-5-7-12)20-16-13(9-18)10-19-21(16)17(15)22/h3-7,10-11,20H,8H2,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532934
PNG
(CHEMBL4537301)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cccnc1
Show InChI InChI=1S/C15H13N5O/c1-9(2)12-13(10-4-3-5-17-7-10)19-14-11(6-16)8-18-20(14)15(12)21/h3-5,7-9,19H,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532942
PNG
(CHEMBL4567032)
Show SMILES CC(C)c1c(Cc2ccccc2)[nH]c2c(cnn2c1=O)C#N
Show InChI InChI=1S/C17H16N4O/c1-11(2)15-14(8-12-6-4-3-5-7-12)20-16-13(9-18)10-19-21(16)17(15)22/h3-7,10-11,20H,8H2,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532934
PNG
(CHEMBL4537301)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cccnc1
Show InChI InChI=1S/C15H13N5O/c1-9(2)12-13(10-4-3-5-17-7-10)19-14-11(6-16)8-18-20(14)15(12)21/h3-5,7-9,19H,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532941
PNG
(CHEMBL4444121)
Show SMILES CC(C)c1c(CCc2ccccc2)[nH]c2c(cnn2c1=O)C#N
Show InChI InChI=1S/C18H18N4O/c1-12(2)16-15(9-8-13-6-4-3-5-7-13)21-17-14(10-19)11-20-22(17)18(16)23/h3-7,11-12,21H,8-9H2,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532932
PNG
(CHEMBL4539736)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(C)c1
Show InChI InChI=1S/C14H14N6O/c1-8(2)11-12(10-6-16-19(3)7-10)18-13-9(4-15)5-17-20(13)14(11)21/h5-8,18H,1-3H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532957
PNG
(CHEMBL4516977)
Show SMILES CC(C#C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C17H12N4O/c1-3-11(2)14-15(12-7-5-4-6-8-12)20-16-13(9-18)10-19-21(16)17(14)22/h1,4-8,10-11,20H,2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532941
PNG
(CHEMBL4444121)
Show SMILES CC(C)c1c(CCc2ccccc2)[nH]c2c(cnn2c1=O)C#N
Show InChI InChI=1S/C18H18N4O/c1-12(2)16-15(9-8-13-6-4-3-5-7-13)21-17-14(10-19)11-20-22(17)18(16)23/h3-7,11-12,21H,8-9H2,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532957
PNG
(CHEMBL4516977)
Show SMILES CC(C#C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C17H12N4O/c1-3-11(2)14-15(12-7-5-4-6-8-12)20-16-13(9-18)10-19-21(16)17(14)22/h1,4-8,10-11,20H,2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532932
PNG
(CHEMBL4539736)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(C)c1
Show InChI InChI=1S/C14H14N6O/c1-8(2)11-12(10-6-16-19(3)7-10)18-13-9(4-15)5-17-20(13)14(11)21/h5-8,18H,1-3H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532951
PNG
(CHEMBL4447703)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N4O/c1-9(2)13-14(10-4-3-5-12(6-10)17(18,19)20)23-15-11(7-21)8-22-24(15)16(13)25/h3-6,8-9,23H,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532959
PNG
(CHEMBL4458334)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)C
Show InChI InChI=1S/C16H18N6O/c1-9(2)13-14(12-7-18-21(8-12)10(3)4)20-15-11(5-17)6-19-22(15)16(13)23/h6-10,20H,1-4H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532951
PNG
(CHEMBL4447703)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N4O/c1-9(2)13-14(10-4-3-5-12(6-10)17(18,19)20)23-15-11(7-21)8-22-24(15)16(13)25/h3-6,8-9,23H,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532959
PNG
(CHEMBL4458334)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)C
Show InChI InChI=1S/C16H18N6O/c1-9(2)13-14(12-7-18-21(8-12)10(3)4)20-15-11(5-17)6-19-22(15)16(13)23/h6-10,20H,1-4H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50158830
PNG
(CHEMBL3785583)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)(C)C
Show InChI InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50158830
PNG
(CHEMBL3785583)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C(C)(C)C
Show InChI InChI=1S/C17H20N6O/c1-10(2)13-14(12-8-19-22(9-12)17(3,4)5)21-15-11(6-18)7-20-23(15)16(13)24/h7-10,21H,1-5H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532955
PNG
(CHEMBL4577929)
Show SMILES CC(C=C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C17H14N4O/c1-3-11(2)14-15(12-7-5-4-6-8-12)20-16-13(9-18)10-19-21(16)17(14)22/h3-8,10-11,20H,1H2,2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532955
PNG
(CHEMBL4577929)
Show SMILES CC(C=C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C17H14N4O/c1-3-11(2)14-15(12-7-5-4-6-8-12)20-16-13(9-18)10-19-21(16)17(14)22/h3-8,10-11,20H,1H2,2H3
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n/an/a 16n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532928
PNG
(CHEMBL4450386)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C1COC1
Show InChI InChI=1S/C16H16N6O2/c1-9(2)13-14(11-5-18-21(6-11)12-7-24-8-12)20-15-10(3-17)4-19-22(15)16(13)23/h4-6,9,12,20H,7-8H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532928
PNG
(CHEMBL4450386)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1cnn(c1)C1COC1
Show InChI InChI=1S/C16H16N6O2/c1-9(2)13-14(11-5-18-21(6-11)12-7-24-8-12)20-15-10(3-17)4-19-22(15)16(13)23/h4-6,9,12,20H,7-8H2,1-2H3
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Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532945
PNG
(CHEMBL4470689)
Show SMILES CCC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-3-11(2)14-15(12-7-5-4-6-8-12)20-16-13(9-18)10-19-21(16)17(14)22/h4-8,10-11,20H,3H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532937
PNG
(CHEMBL4564949)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N4O/c1-9(2)13-14(10-3-5-12(6-4-10)17(18,19)20)23-15-11(7-21)8-22-24(15)16(13)25/h3-6,8-9,23H,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532945
PNG
(CHEMBL4470689)
Show SMILES CCC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-3-11(2)14-15(12-7-5-4-6-8-12)20-16-13(9-18)10-19-21(16)17(14)22/h4-8,10-11,20H,3H2,1-2H3
PDB
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n/an/a 18n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50532937
PNG
(CHEMBL4564949)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N4O/c1-9(2)13-14(10-3-5-12(6-4-10)17(18,19)20)23-15-11(7-21)8-22-24(15)16(13)25/h3-6,8-9,23H,1-2H3
PDB
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n/an/a 18n/an/an/an/an/an/a



Genentech Inc

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin)


Bioorg Med Chem Lett 26: 4036-41 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.078
BindingDB Entry DOI: 10.7270/Q2GB27J7
More data for this
Ligand-Target Pair
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