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Compile Data Set for Download or QSAR

Found 1379 hits with Last Name = 'mitchell' and Initial = 'lh'   
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
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50304781
PNG
(2-(4-(3-(4-fluorobenzyl)-4-hydroxyphenoxy)-3,5-dim...)
Show SMILES Cc1cc(cc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C24H20FN3O4/c1-14-9-19(28-24(31)27-22(30)13-26-28)10-15(2)23(14)32-20-7-8-21(29)17(12-20)11-16-3-5-18(25)6-4-16/h3-10,12-13,29H,11H2,1-2H3,(H,27,30,31)
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor beta


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50304778
PNG
(3-(3-chloro-4-(3-(cyclobutylmethylsulfonyl)-4-hydr...)
Show SMILES Cc1cc(NC(=O)CC(O)=O)cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)CC1CCC1
Show InChI InChI=1S/C21H22ClNO7S/c1-12-7-14(23-19(25)10-20(26)27)8-16(22)21(12)30-15-5-6-17(24)18(9-15)31(28,29)11-13-3-2-4-13/h5-9,13,24H,2-4,10-11H2,1H3,(H,23,25)(H,26,27)
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0.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor beta


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50304777
PNG
(2-(4-(7-hydroxy-2,3-dihydro-1H-inden-4-yloxy)-3,5-...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c2CCCc12
Show InChI InChI=1S/C19H19NO5/c1-10-8-12(20-18(22)19(23)24)9-11(2)17(10)25-16-7-6-15(21)13-4-3-5-14(13)16/h6-9,21H,3-5H2,1-2H3,(H,20,22)(H,23,24)
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0.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor beta


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50304780
PNG
(2-(3,5-dichloro-4-(3-(4-fluorobenzyl)-4-hydroxyphe...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1Cc1ccc(F)cc1
Show InChI InChI=1S/C22H14Cl2FN3O4/c23-17-9-15(28-22(31)27-20(30)11-26-28)10-18(24)21(17)32-16-5-6-19(29)13(8-16)7-12-1-3-14(25)4-2-12/h1-6,8-11,29H,7H2,(H,27,30,31)
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0.510n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor beta


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50304777
PNG
(2-(4-(7-hydroxy-2,3-dihydro-1H-inden-4-yloxy)-3,5-...)
Show SMILES Cc1cc(NC(=O)C(O)=O)cc(C)c1Oc1ccc(O)c2CCCc12
Show InChI InChI=1S/C19H19NO5/c1-10-8-12(20-18(22)19(23)24)9-11(2)17(10)25-16-7-6-15(21)13-4-3-5-14(13)16/h6-9,21H,3-5H2,1-2H3,(H,20,22)(H,23,24)
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0.700n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor alpha


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50123049
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbo...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H18Cl2N4O5/c22-15-8-12(27-21(31)25-18(29)11-24-27)9-16(23)19(15)32-13-4-5-17(28)14(10-13)20(30)26-6-2-1-3-7-26/h4-5,8-11,28H,1-3,6-7H2,(H,25,29,31)
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor beta


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair
Thyroid Hormone Receptor (TR-beta)


(Homo sapiens (Human))
BDBM50304779
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(1,2,3,4-tetrahydro...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C25H18Cl2N4O5/c26-19-9-16(31-25(35)29-22(33)12-28-31)10-20(27)23(19)36-17-5-6-21(32)18(11-17)24(34)30-8-7-14-3-1-2-4-15(14)13-30/h1-6,9-12,32H,7-8,13H2,(H,29,33,35)
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor beta


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50304778
PNG
(3-(3-chloro-4-(3-(cyclobutylmethylsulfonyl)-4-hydr...)
Show SMILES Cc1cc(NC(=O)CC(O)=O)cc(Cl)c1Oc1ccc(O)c(c1)S(=O)(=O)CC1CCC1
Show InChI InChI=1S/C21H22ClNO7S/c1-12-7-14(23-19(25)10-20(26)27)8-16(22)21(12)30-15-5-6-17(24)18(9-15)31(28,29)11-13-3-2-4-13/h5-9,13,24H,2-4,10-11H2,1H3,(H,23,25)(H,26,27)
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2.10n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor alpha


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50304781
PNG
(2-(4-(3-(4-fluorobenzyl)-4-hydroxyphenoxy)-3,5-dim...)
Show SMILES Cc1cc(cc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1)-n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C24H20FN3O4/c1-14-9-19(28-24(31)27-22(30)13-26-28)10-15(2)23(14)32-20-7-8-21(29)17(12-20)11-16-3-5-18(25)6-4-16/h3-10,12-13,29H,11H2,1-2H3,(H,27,30,31)
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor alpha


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50304780
PNG
(2-(3,5-dichloro-4-(3-(4-fluorobenzyl)-4-hydroxyphe...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1Cc1ccc(F)cc1
Show InChI InChI=1S/C22H14Cl2FN3O4/c23-17-9-15(28-22(31)27-20(30)11-26-28)10-18(24)21(17)32-16-5-6-19(29)13(8-16)7-12-1-3-14(25)4-2-12/h1-6,8-11,29H,7H2,(H,27,30,31)
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor alpha


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50123049
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(piperidine-1-carbo...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCCCC1
Show InChI InChI=1S/C21H18Cl2N4O5/c22-15-8-12(27-21(31)25-18(29)11-24-27)9-16(23)19(15)32-13-4-5-17(28)14(10-13)20(30)26-6-2-1-3-7-26/h4-5,8-11,28H,1-3,6-7H2,(H,25,29,31)
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor alpha


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair
Thyroid hormone receptor


(Homo sapiens (Human))
BDBM50304779
PNG
(2-(3,5-dichloro-4-(4-hydroxy-3-(1,2,3,4-tetrahydro...)
Show SMILES Oc1ccc(Oc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C25H18Cl2N4O5/c26-19-9-16(31-25(35)29-22(33)12-28-31)10-20(27)23(19)36-17-5-6-21(32)18(11-17)24(34)30-8-7-14-3-1-2-4-15(14)13-30/h1-6,9-12,32H,7-8,13H2,(H,29,33,35)
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126n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to thyroid receptor alpha


Bioorg Med Chem Lett 20: 306-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.109
BindingDB Entry DOI: 10.7270/Q2J38SNP
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378442
PNG
(N-((1R,3R,5S)-8-(((1r,4R)-4-aminocyclohexyl)sulfon...)
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Article
n/an/a 0.440n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378443
PNG
(N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...)
PDB

UniProtKB/SwissProt

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UniChem
Article
n/an/a 0.490n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378444
PNG
(N-((1R,3r,5S)-8-(((1-methylpiperidin-4-yl)methyl)s...)
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
Article
n/an/a 0.670n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378445
PNG
(N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...)
PDB

UniProtKB/SwissProt

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UniChem
Article
n/an/a 0.680n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378446
PNG
(N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-...)
PDB

UniProtKB/SwissProt

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UniChem
Article
n/an/a 0.810n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378447
PNG
(N-((2S,4S)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-m...)
PDB

UniProtKB/SwissProt

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Article
n/an/a 0.900n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378448
PNG
(N-((1R,3r,5S)-8-(((1-(3-hydroxypropyl)piperidin-4-...)
PDB

UniProtKB/SwissProt

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UniChem
Article
n/an/a 0.950n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378449
PNG
(N-((2S,4S)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-m...)
PDB

UniProtKB/SwissProt

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UniChem
Article
n/an/a 0.980n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378450
PNG
(N-((1R,3R,5S)-8-(((1r,4R)-4-aminocyclohexyl)sulfon...)
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
Article
n/an/a 1.10n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378746
PNG
(N-(1-((1-(4-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...)
PDB

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n/an/a 1.20n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378451
PNG
(N-((2S)-1-((4-(2-aminopropan-2-yl)phenyl)sulfonyl)...)
PDB

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Article
n/an/a 1.47n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378452
PNG
(6-chloro-N-((1R,3r,5S)-8-(((1-(3-hydroxypropyl)pip...)
PDB

UniProtKB/SwissProt

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UniChem
Article
n/an/a 1.73n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378453
PNG
(6-chloro-N-((1R,3r,5S)-8-((4-(methylamino)piperidi...)
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
Article
n/an/a 1.89n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378454
PNG
(N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...)
PDB

UniProtKB/SwissProt

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UniChem
Article
n/an/a 1.98n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378455
PNG
(N-((2S,4S)-1-((4-(2-aminopropan-2-yl)phenyl)sulfon...)
PDB

UniProtKB/SwissProt

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UniChem
Article
n/an/a 1.98n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50095355
PNG
(CHEMBL3589029)
Show SMILES CN(CCN)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H22N4O/c1-23(12-11-20)14-16-13-21-22-19(16)15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-10,13H,11-12,14,20H2,1H3,(H,21,22)
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Epizyme, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...


ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50095436
PNG
(CHEMBL3589043)
Show SMILES CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2cccc(c2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C23H29N5O2/c1-24-12-13-28(4)16-22-21(15-25-26-22)17-8-10-19(11-9-17)30-20-7-5-6-18(14-20)23(29)27(2)3/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,25,26)
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n/an/a 2n/an/an/an/an/an/a



Epizyme, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...


ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 8 (PRMT8)


(Homo sapiens (Human))
BDBM50095355
PNG
(CHEMBL3589029)
Show SMILES CN(CCN)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H22N4O/c1-23(12-11-20)14-16-13-21-22-19(16)15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-10,13H,11-12,14,20H2,1H3,(H,21,22)
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n/an/a 2n/an/an/an/an/an/a



Epizyme, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escherichia coli (BL21(DE3) pre-incubated for 30 mins before addition of a [...


ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378456
PNG
(N-((1R,3r,5S)-8-((4-(methylamino)piperidin-1-yl)su...)
PDB

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n/an/a 2.13n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378457
PNG
(2-oxo-N-((1R,3r,5S)-8-((piperidin-3-ylmethyl)sulfo...)
PDB

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n/an/a 2.14n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378458
PNG
(N-((1R,3R,5S)-8-(((1s,4S)-4-aminocyclohexyl)sulfon...)
PDB

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n/an/a 2.33n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378459
PNG
(N-((1R,3r,5S)-8-((4-(benzylamino)piperidin-1-yl)su...)
PDB

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Article
n/an/a 2.58n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378460
PNG
(N-((1R,3r,5S)-8-((4-(dimethylamino)piperidin-1-yl)...)
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n/an/a 2.89n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50095438
PNG
(CHEMBL3589042)
Show SMILES CNCCN(C)Cc1c[nH]nc1-c1ccc(Oc2cccc(c2)C(=O)N(C)C)cc1
Show InChI InChI=1S/C23H29N5O2/c1-24-12-13-28(4)16-19-15-25-26-22(19)17-8-10-20(11-9-17)30-21-7-5-6-18(14-21)23(29)27(2)3/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,25,26)
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n/an/a 3n/an/an/an/an/an/a



Epizyme, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...


ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378747
PNG
(N-(1-((1-(4-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...)
PDB

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n/an/a 3.30n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378461
PNG
(6-chloro-N-((1R,3r,5S)-8-((4-(dimethylamino)piperi...)
PDB

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n/an/a 3.46n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378462
PNG
(6-chloro-2-oxo-N-((1R,3r,5S)-8-(((1-(4,4,4-trifluo...)
PDB

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n/an/a 3.54n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378463
PNG
(6-chloro-2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmet...)
PDB

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n/an/a 3.60n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM378802
PNG
(N-(1-((1-(4-chlorobenzyl)-1H-pyrazol-4-yl)methyl)a...)
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n/an/a 3.90n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378464
PNG
(2-oxo-N-((1R,3r,5S)-8-((piperidin-4-ylmethyl)sulfo...)
PDB

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n/an/a 3.98n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50095354
PNG
(CHEMBL3589030)
Show SMILES CC(C)Oc1ccc(cc1Cl)-c1[nH]ncc1CN(C)CCN
Show InChI InChI=1S/C16H23ClN4O/c1-11(2)22-15-5-4-12(8-14(15)17)16-13(9-19-20-16)10-21(3)7-6-18/h4-5,8-9,11H,6-7,10,18H2,1-3H3,(H,19,20)
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n/an/a 4n/an/an/an/an/an/a



Epizyme, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...


ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50095432
PNG
(CHEMBL3589026)
Show SMILES CC(C)Oc1ccc(cc1)-c1[nH]ncc1CN(C)CCN
Show InChI InChI=1S/C16H24N4O/c1-12(2)21-15-6-4-13(5-7-15)16-14(10-18-19-16)11-20(3)9-8-17/h4-7,10,12H,8-9,11,17H2,1-3H3,(H,18,19)
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n/an/a 4n/an/an/an/an/an/a



Epizyme, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...


ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378465
PNG
(6-chloro-2-oxo-N-((1R,3S,5S)-8-((((S)-piperidin-3-...)
PDB

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n/an/a 4.12n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378466
PNG
(N-((2S,4S)-2-methyl-1-((piperidin-4-ylmethyl)sulfo...)
PDB

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n/an/a 4.42n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))
BDBM378465
PNG
(6-chloro-2-oxo-N-((1R,3S,5S)-8-((((S)-piperidin-3-...)
PDB

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n/an/a 4.99n/an/an/an/an/an/a



ENSCMu





Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50095435
PNG
(CHEMBL3590417)
Show SMILES CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2ccccc2C(=O)NC)cc1
Show InChI InChI=1S/C22H27N5O2/c1-23-12-13-27(3)15-20-19(14-25-26-20)16-8-10-17(11-9-16)29-21-7-5-4-6-18(21)22(28)24-2/h4-11,14,23H,12-13,15H2,1-3H3,(H,24,28)(H,25,26)
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n/an/a 5n/an/an/an/an/an/a



Epizyme, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...


ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50095353
PNG
(CHEMBL3589031)
Show SMILES CNCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(Cl)c1
Show InChI InChI=1S/C17H25ClN4O/c1-12(2)23-16-6-5-13(9-15(16)18)17-14(10-20-21-17)11-22(4)8-7-19-3/h5-6,9-10,12,19H,7-8,11H2,1-4H3,(H,20,21)
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n/an/a 5n/an/an/an/an/an/a



Epizyme, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...


ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50095356
PNG
(CHEMBL3589028)
Show SMILES CC(C)Cc1ccc(cc1)-c1[nH]ncc1CN(C)CCN
Show InChI InChI=1S/C17H26N4/c1-13(2)10-14-4-6-15(7-5-14)17-16(11-19-20-17)12-21(3)9-8-18/h4-7,11,13H,8-10,12,18H2,1-3H3,(H,19,20)
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n/an/a 5n/an/an/an/an/an/a



Epizyme, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...


ACS Med Chem Lett 6: 655-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00071
BindingDB Entry DOI: 10.7270/Q20003V2
More data for this
Ligand-Target Pair
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