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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'zuo' and Initial = 'j'   
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
p110α/p85α


(Homo sapiens (Human))
BDBM50233667
PNG
(CHEMBL4088969)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r|
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n/an/a 6.70n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50233666
PNG
(CHEMBL4097625)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r|
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n/an/a 7.30n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50233667
PNG
(CHEMBL4088969)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r|
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n/an/a 21n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50233667
PNG
(CHEMBL4088969)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r|
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n/an/a 24n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 89n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 97n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50233666
PNG
(CHEMBL4097625)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r|
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n/an/a 106n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50233667
PNG
(CHEMBL4088969)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r|
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n/an/a 114n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), gamma


(Homo sapiens (Human))
BDBM50233666
PNG
(CHEMBL4097625)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r|
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n/an/a 116n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140574
PNG
(CHEMBL3753391)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1cccn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C20H22N6O2/c27-19(28)6-10-21-20-23-17(14-18(24-20)26-11-3-9-22-26)25-12-7-15-4-1-2-5-16(15)8-13-25/h1-5,9,11,14H,6-8,10,12-13H2,(H,27,28)(H,21,23,24)
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n/an/a 150n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM60875
PNG
(3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...)
Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)
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n/an/a 150n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphoinositide 3-Kinase (PI3K), gamma


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 169n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), gamma


(Homo sapiens (Human))
BDBM50233667
PNG
(CHEMBL4088969)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r|
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n/an/a 181n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140567
PNG
(CHEMBL3752893)
Show SMILES OC(=O)CCNc1nc(cc(n1)-c1nccs1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C20H21N5O2S/c26-18(27)5-8-22-20-23-16(19-21-9-12-28-19)13-17(24-20)25-10-6-14-3-1-2-4-15(14)7-11-25/h1-4,9,12-13H,5-8,10-11H2,(H,26,27)(H,22,23,24)
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n/an/a 200n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 204n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50233666
PNG
(CHEMBL4097625)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r|
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n/an/a 208n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM50233666
PNG
(CHEMBL4097625)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r|
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n/an/a 209n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140345
PNG
(CHEMBL3752179)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1ccnn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C19H21N7O2/c27-18(28)5-8-20-19-22-16(13-17(23-19)26-12-9-21-24-26)25-10-6-14-3-1-2-4-15(14)7-11-25/h1-4,9,12-13H,5-8,10-11H2,(H,27,28)(H,20,22,23)
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n/an/a 210n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140680
PNG
(CHEMBL3753740)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1nccn1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C19H21N7O2/c27-18(28)5-8-20-19-23-16(13-17(24-19)26-21-9-10-22-26)25-11-6-14-3-1-2-4-15(14)7-12-25/h1-4,9-10,13H,5-8,11-12H2,(H,27,28)(H,20,23,24)
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n/an/a 270n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
p110β/p85α


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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Xi'an Jiaotong University

Curated by ChEMBL




Bioorg Med Chem 23: 7765-76 (2015)


BindingDB Entry DOI: 10.7270/Q2222X19
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140678
PNG
(CHEMBL3752769)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1cccn1)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H20N6O2/c26-18(27)6-9-20-19-22-16(12-17(23-19)25-10-3-8-21-25)24-11-7-14-4-1-2-5-15(14)13-24/h1-5,8,10,12H,6-7,9,11,13H2,(H,26,27)(H,20,22,23)
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n/an/a 490n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140576
PNG
(CHEMBL3752835)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1cccn1)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H22FN7O2/c21-15-2-4-16(5-3-15)26-10-12-27(13-11-26)17-14-18(28-9-1-7-23-28)25-20(24-17)22-8-6-19(29)30/h1-5,7,9,14H,6,8,10-13H2,(H,29,30)(H,22,24,25)
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n/an/a 550n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140570
PNG
(CHEMBL3752143)
Show SMILES OC(=O)CCNc1nc(cc(n1)-c1nccs1)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN6O2S/c21-14-1-3-15(4-2-14)26-8-10-27(11-9-26)17-13-16(19-22-7-12-30-19)24-20(25-17)23-6-5-18(28)29/h1-4,7,12-13H,5-6,8-11H2,(H,28,29)(H,23,24,25)
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n/an/a 600n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140677
PNG
(CHEMBL3752551)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1cccn1)N1CCN(CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H21Cl2N7O2/c21-15-3-2-14(12-16(15)22)27-8-10-28(11-9-27)17-13-18(29-7-1-5-24-29)26-20(25-17)23-6-4-19(30)31/h1-3,5,7,12-13H,4,6,8-11H2,(H,30,31)(H,23,25,26)
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n/an/a 740n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140575
PNG
(CHEMBL3753449)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1cccn1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H24N6O2/c28-20(29)7-11-22-21-24-18(15-19(25-21)27-12-4-10-23-27)26-13-8-17(9-14-26)16-5-2-1-3-6-16/h1-6,10,12,15,17H,7-9,11,13-14H2,(H,28,29)(H,22,24,25)
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n/an/a 750n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140571
PNG
(CHEMBL3752294)
Show SMILES OC(=O)CCNc1nc(cc(n1)-c1nccs1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H21N7O2S/c27-17(28)4-6-22-19-23-14(18-21-7-12-29-18)13-16(24-19)26-10-8-25(9-11-26)15-3-1-2-5-20-15/h1-3,5,7,12-13H,4,6,8-11H2,(H,27,28)(H,22,23,24)
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n/an/a 900n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140573
PNG
(CHEMBL3752343)
Show InChI InChI=1S/C20H20Cl2N6O2S/c21-14-2-1-13(11-15(14)22)27-6-8-28(9-7-27)17-12-16(19-23-5-10-31-19)25-20(26-17)24-4-3-18(29)30/h1-2,5,10-12H,3-4,6-9H2,(H,29,30)(H,24,25,26)
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n/an/a 940n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140572
PNG
(CHEMBL3753199)
Show InChI InChI=1S/C19H19N5O2S/c25-17(26)5-7-21-19-22-15(18-20-8-10-27-18)11-16(23-19)24-9-6-13-3-1-2-4-14(13)12-24/h1-4,8,10-11H,5-7,9,12H2,(H,25,26)(H,21,22,23)
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n/an/a 990n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140577
PNG
(CHEMBL3753326)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1cccn1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H22N8O2/c28-18(29)5-8-21-19-23-16(14-17(24-19)27-9-3-7-22-27)26-12-10-25(11-13-26)15-4-1-2-6-20-15/h1-4,6-7,9,14H,5,8,10-13H2,(H,28,29)(H,21,23,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140684
PNG
(CHEMBL3753893)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1nccn1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H23N7O2/c28-19(29)6-9-21-20-24-17(14-18(25-20)27-22-10-11-23-27)26-12-7-16(8-13-26)15-4-2-1-3-5-15/h1-5,10-11,14,16H,6-9,12-13H2,(H,28,29)(H,21,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140568
PNG
(CHEMBL3754078)
Show SMILES OC(=O)CCNc1nc(cc(n1)-c1nccs1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H23N5O2S/c27-19(28)6-9-23-21-24-17(20-22-10-13-29-20)14-18(25-21)26-11-7-16(8-12-26)15-4-2-1-3-5-15/h1-5,10,13-14,16H,6-9,11-12H2,(H,27,28)(H,23,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140682
PNG
(CHEMBL3752967)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1nccn1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C18H21N9O2/c28-17(29)4-6-20-18-23-15(13-16(24-18)27-21-7-8-22-27)26-11-9-25(10-12-26)14-3-1-2-5-19-14/h1-3,5,7-8,13H,4,6,9-12H2,(H,28,29)(H,20,23,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140683
PNG
(CHEMBL3752156)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1nccn1)N1CCN(CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H20Cl2N8O2/c20-14-2-1-13(11-15(14)21)27-7-9-28(10-8-27)16-12-17(29-23-5-6-24-29)26-19(25-16)22-4-3-18(30)31/h1-2,5-6,11-12H,3-4,7-10H2,(H,30,31)(H,22,25,26)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140347
PNG
(CHEMBL3753356)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1ccnn1)N1CCc2ccccc2C1
Show InChI InChI=1S/C18H19N7O2/c26-17(27)5-7-19-18-21-15(11-16(22-18)25-10-8-20-23-25)24-9-6-13-3-1-2-4-14(13)12-24/h1-4,8,10-11H,5-7,9,12H2,(H,26,27)(H,19,21,22)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140681
PNG
(CHEMBL3753787)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1nccn1)N1CCc2ccccc2C1
Show InChI InChI=1S/C18H19N7O2/c26-17(27)5-7-19-18-22-15(11-16(23-18)25-20-8-9-21-25)24-10-6-13-3-1-2-4-14(13)12-24/h1-4,8-9,11H,5-7,10,12H2,(H,26,27)(H,19,22,23)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140346
PNG
(CHEMBL3752006)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1ccnn1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H23N7O2/c28-19(29)6-9-21-20-23-17(14-18(24-20)27-13-10-22-25-27)26-11-7-16(8-12-26)15-4-2-1-3-5-15/h1-5,10,13-14,16H,6-9,11-12H2,(H,28,29)(H,21,23,24)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140569
PNG
(CHEMBL3752995)
Show SMILES COc1ccccc1N1CCN(CC1)c1cc(nc(NCCC(O)=O)n1)-c1nccs1
Show InChI InChI=1S/C21H24N6O3S/c1-30-17-5-3-2-4-16(17)26-9-11-27(12-10-26)18-14-15(20-22-8-13-31-20)24-21(25-18)23-7-6-19(28)29/h2-5,8,13-14H,6-7,9-12H2,1H3,(H,28,29)(H,23,24,25)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140349
PNG
(CHEMBL3754555)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1cc2ccccc2n1)N1CCc2ccccc2CC1
Show InChI InChI=1S/C24H24N6O2/c31-23(32)9-12-25-24-26-21(29-13-10-17-5-1-2-6-18(17)11-14-29)15-22(27-24)30-16-19-7-3-4-8-20(19)28-30/h1-8,15-16H,9-14H2,(H,31,32)(H,25,26,27)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140685
PNG
(CHEMBL3753303)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1nccn1)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H21FN8O2/c20-14-1-3-15(4-2-14)26-9-11-27(12-10-26)16-13-17(28-22-7-8-23-28)25-19(24-16)21-6-5-18(29)30/h1-4,7-8,13H,5-6,9-12H2,(H,29,30)(H,21,24,25)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140350
PNG
(CHEMBL3754777)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1cc2ccccc2n1)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C24H24FN7O2/c25-18-5-7-19(8-6-18)30-11-13-31(14-12-30)21-15-22(28-24(27-21)26-10-9-23(33)34)32-16-17-3-1-2-4-20(17)29-32/h1-8,15-16H,9-14H2,(H,33,34)(H,26,27,28)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140566
PNG
(CHEMBL3754383)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1cc2ccccc2n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C23H22N6O2/c30-22(31)9-11-24-23-25-20(28-12-10-16-5-1-2-6-17(16)14-28)13-21(26-23)29-15-18-7-3-4-8-19(18)27-29/h1-8,13,15H,9-12,14H2,(H,30,31)(H,24,25,26)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140348
PNG
(CHEMBL3754052)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1ccnn1)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C19H21FN8O2/c20-14-1-3-15(4-2-14)26-9-11-27(12-10-26)16-13-17(28-8-7-22-25-28)24-19(23-16)21-6-5-18(29)30/h1-4,7-8,13H,5-6,9-12H2,(H,29,30)(H,21,23,24)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140679
PNG
(CHEMBL3752327)
Show SMILES COc1ccccc1N1CCN(CC1)c1cc(nc(NCCC(O)=O)n1)-n1cccn1
Show InChI InChI=1S/C21H25N7O3/c1-31-17-6-3-2-5-16(17)26-11-13-27(14-12-26)18-15-19(28-10-4-8-23-28)25-21(24-18)22-9-7-20(29)30/h2-6,8,10,15H,7,9,11-14H2,1H3,(H,29,30)(H,22,24,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140344
PNG
(CHEMBL3753122)
Show SMILES COc1ccccc1N1CCN(CC1)c1cc(nc(NCCC(O)=O)n1)-n1nccn1
Show InChI InChI=1S/C20H24N8O3/c1-31-16-5-3-2-4-15(16)26-10-12-27(13-11-26)17-14-18(28-22-8-9-23-28)25-20(24-17)21-7-6-19(29)30/h2-5,8-9,14H,6-7,10-13H2,1H3,(H,29,30)(H,21,24,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50385959
PNG
(CHEMBL2042321)
Show SMILES CC(C)(C)Oc1cccc2nc(N)nc(N)c12
Show InChI InChI=1S/C12H16N4O/c1-12(2,3)17-8-6-4-5-7-9(8)10(13)16-11(14)15-7/h4-6H,1-3H3,(H4,13,14,15,16)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.02E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp assay


J Med Chem 55: 3135-43 (2012)


Article DOI: 10.1021/jm2015952
BindingDB Entry DOI: 10.7270/Q2B27WB9
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50140351
PNG
(CHEMBL3752471)
Show SMILES OC(=O)CCNc1nc(cc(n1)-n1cc2ccccc2n1)N1CCN(CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H23Cl2N7O2/c25-18-6-5-17(13-19(18)26)31-9-11-32(12-10-31)21-14-22(29-24(28-21)27-8-7-23(34)35)33-15-16-3-1-2-4-20(16)30-33/h1-6,13-15H,7-12H2,(H,34,35)(H,27,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of JMJD3 (unknown origin) using biotinylated H3K27me3 peptide as substrate after 1 hr by AlphaLISA assay


Bioorg Med Chem Lett 26: 721-5 (2016)


BindingDB Entry DOI: 10.7270/Q2P55QC2
More data for this
Ligand-Target Pair