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PubMed code 25032507

Compile data set for download or QSAR
Found 43 hits of Enzyme Inhibition Constant Data   
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
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051116
PNG
(CHEMBL3318284)
Show SMILES [H][C@]12[C@@H](C)[C@H](O)C[C@@H](O)[C@@]1(C)C=C(C)[C@H]([C@@H]2\C=C(/C)C(O)=O)C(C)=CC[C@H](O)C[C@@H](O)[C@H](C)[C@@H](O)C(C)C |r,t:12|
Show InChI InChI=1/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/s2
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin)


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051122
PNG
(CHEMBL3318290)
Show SMILES COc1cc2nc(nc(NCCCCCN(C)C)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C21H33N5O2/c1-25(2)11-7-5-6-10-22-20-16-14-18(27-3)19(28-4)15-17(16)23-21(24-20)26-12-8-9-13-26/h14-15H,5-13H2,1-4H3,(H,22,23,24)
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n/an/a 7.90E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051121
PNG
(CHEMBL3318289)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C24H37N5O2/c1-30-21-17-19-20(18-22(21)31-2)26-24(29-15-9-10-16-29)27-23(19)25-11-5-3-6-12-28-13-7-4-8-14-28/h17-18H,3-16H2,1-2H3,(H,25,26,27)
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n/an/a 7.90E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli assessed as decrease in methylation...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051133
PNG
(CHEMBL3318301)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N(C)C
Show InChI InChI=1S/C21H33N5O2/c1-25(2)21-23-17-15-19(28-4)18(27-3)14-16(17)20(24-21)22-10-6-5-7-11-26-12-8-9-13-26/h14-15H,5-13H2,1-4H3,(H,22,23,24)
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n/an/a 9.20E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051123
PNG
(CHEMBL3318291)
Show SMILES CCN(CC)CCCCCNc1nc(nc2cc(OC)c(OC)cc12)N1CCCC1
Show InChI InChI=1S/C23H37N5O2/c1-5-27(6-2)13-9-7-8-12-24-22-18-16-20(29-3)21(30-4)17-19(18)25-23(26-22)28-14-10-11-15-28/h16-17H,5-15H2,1-4H3,(H,24,25,26)
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051127
PNG
(CHEMBL3318295)
Show SMILES CCN1CCN(CCCCCNc2nc(nc3cc(OC)c(OC)cc23)N2CCCC2)CC1
Show InChI InChI=1S/C25H40N6O2/c1-4-29-14-16-30(17-15-29)11-7-5-6-10-26-24-20-18-22(32-2)23(33-3)19-21(20)27-25(28-24)31-12-8-9-13-31/h18-19H,4-17H2,1-3H3,(H,26,27,28)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051126
PNG
(CHEMBL3318294)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCN(C)CC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C24H38N6O2/c1-28-13-15-29(16-14-28)10-6-4-5-9-25-23-19-17-21(31-2)22(32-3)18-20(19)26-24(27-23)30-11-7-8-12-30/h17-18H,4-16H2,1-3H3,(H,25,26,27)
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051125
PNG
(CHEMBL3318293)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCNCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H36N6O2/c1-30-20-16-18-19(17-21(20)31-2)26-23(29-12-6-7-13-29)27-22(18)25-8-4-3-5-11-28-14-9-24-10-15-28/h16-17,24H,3-15H2,1-2H3,(H,25,26,27)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051128
PNG
(CHEMBL3318296)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCN(CC3)C(C)C)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C26H42N6O2/c1-20(2)31-16-14-30(15-17-31)11-7-5-6-10-27-25-21-18-23(33-3)24(34-4)19-22(21)28-26(29-25)32-12-8-9-13-32/h18-20H,5-17H2,1-4H3,(H,27,28,29)
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051124
PNG
(CHEMBL3318292)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C28H44N6O4/c1-28(2,3)38-27(35)34-17-15-32(16-18-34)12-8-6-7-11-29-25-21-19-23(36-4)24(37-5)20-22(21)30-26(31-25)33-13-9-10-14-33/h19-20H,6-18H2,1-5H3,(H,29,30,31)
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051119
PNG
(CHEMBL3318287)
Show SMILES COc1cc2nc(nc(NCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C21H31N5O2/c1-27-18-14-16-17(15-19(18)28-2)23-21(26-12-5-6-13-26)24-20(16)22-8-7-11-25-9-3-4-10-25/h14-15H,3-13H2,1-2H3,(H,22,23,24)
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051384
PNG
(CHEMBL3318304)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N(C)C1CCCC1
Show InChI InChI=1S/C25H39N5O2/c1-29(19-11-5-6-12-19)25-27-21-18-23(32-3)22(31-2)17-20(21)24(28-25)26-13-7-4-8-14-30-15-9-10-16-30/h17-19H,4-16H2,1-3H3,(H,26,27,28)
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051386
PNG
(CHEMBL3318305)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N(C)C1CCCCC1
Show InChI InChI=1S/C26H41N5O2/c1-30(20-12-6-4-7-13-20)26-28-22-19-24(33-3)23(32-2)18-21(22)25(29-26)27-14-8-5-9-15-31-16-10-11-17-31/h18-20H,4-17H2,1-3H3,(H,27,28,29)
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a 3.77E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H4K20me (1-24) from SETD8 (unknown origin) catalytic domain expressed in Escherichia coli by fluorescence polarization a...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051120
PNG
(CHEMBL3318288)
Show SMILES COc1cc2nc(nc(NCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C22H33N5O2/c1-28-19-15-17-18(16-20(19)29-2)24-22(27-13-7-8-14-27)25-21(17)23-9-3-4-10-26-11-5-6-12-26/h15-16H,3-14H2,1-2H3,(H,23,24,25)
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051129
PNG
(CHEMBL3318297)
Show SMILES COc1cc2nc(nc(NCCCCC(=O)N3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H33N5O3/c1-30-19-15-17-18(16-20(19)31-2)25-23(28-13-7-8-14-28)26-22(17)24-10-4-3-9-21(29)27-11-5-6-12-27/h15-16H,3-14H2,1-2H3,(H,24,25,26)
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n/an/a 5.80E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051118
PNG
(CHEMBL3318286)
Show SMILES COc1cc2nc(nc(NCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C20H29N5O2/c1-26-17-13-15-16(14-18(17)27-2)22-20(25-10-5-6-11-25)23-19(15)21-7-12-24-8-3-4-9-24/h13-14H,3-12H2,1-2H3,(H,21,22,23)
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n/an/a 6.70E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051131
PNG
(CHEMBL3318299)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCCC1
Show InChI InChI=1S/C24H37N5O2/c1-30-21-17-19-20(18-22(21)31-2)26-24(29-15-7-4-8-16-29)27-23(19)25-11-5-3-6-12-28-13-9-10-14-28/h17-18H,3-16H2,1-2H3,(H,25,26,27)
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n/an/a 9.40E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SUV39H2 (Suv39H2)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SUV39H2 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate ...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of DOT1L (unknown origin) by filter-based assay


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
Myeloid/lymphoid or mixed-lineage leukemia (MLL)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MLL1 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by ...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 3 (PRMT3)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by r...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of GLP (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by r...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETDB1


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETDB1 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate b...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD7 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of DNMT1 (unknown origin) assessed as using dsDNA substrate by radioactive assay


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET and MYND domain-containing protein 2 (SMYD2)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SMYD2 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
Protein lysine methyltransferase SUV4-20H2 (SUV4-20H2)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SUV420H2 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
Protein lysine methyltransferase SUV4-20H1 (SUV4-20H1)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SUV420H1 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051132
PNG
(CHEMBL3318300)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCCCC1
Show InChI InChI=1S/C25H39N5O2/c1-31-22-18-20-21(19-23(22)32-2)27-25(30-16-8-3-4-9-17-30)28-24(20)26-12-6-5-7-13-29-14-10-11-15-29/h18-19H,3-17H2,1-2H3,(H,26,27,28)
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051134
PNG
(CHEMBL3318302)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCNCC1
Show InChI InChI=1S/C23H36N6O2/c1-30-20-16-18-19(17-21(20)31-2)26-23(29-14-9-24-10-15-29)27-22(18)25-8-4-3-5-11-28-12-6-7-13-28/h16-17,24H,3-15H2,1-2H3,(H,25,26,27)
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051387
PNG
(CHEMBL3318306)
Show SMILES COc1cc2nc(NC3CCCC3)nc(NCCCCCN3CCCC3)c2cc1OC
Show InChI InChI=1S/C24H37N5O2/c1-30-21-16-19-20(17-22(21)31-2)27-24(26-18-10-4-5-11-18)28-23(19)25-12-6-3-7-13-29-14-8-9-15-29/h16-18H,3-15H2,1-2H3,(H2,25,26,27,28)
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051390
PNG
(CHEMBL3318307)
Show SMILES COc1cc2nc(NC3CCCCC3)nc(NCCCCCN3CCCC3)c2cc1OC
Show InChI InChI=1S/C25H39N5O2/c1-31-22-17-20-21(18-23(22)32-2)28-25(27-19-11-5-3-6-12-19)29-24(20)26-13-7-4-8-14-30-15-9-10-16-30/h17-19H,3-16H2,1-2H3,(H2,26,27,28,29)
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051398
PNG
(CHEMBL3318308)
Show SMILES COc1cc2nc(Cl)nc(NCCCCCN3CCCC3)c2cc1OC
Show InChI InChI=1S/C19H27ClN4O2/c1-25-16-12-14-15(13-17(16)26-2)22-19(20)23-18(14)21-8-4-3-5-9-24-10-6-7-11-24/h12-13H,3-11H2,1-2H3,(H,21,22,23)
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051239
PNG
(CHEMBL3318303)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCN(C)CC1
Show InChI InChI=1S/C24H38N6O2/c1-28-13-15-30(16-14-28)24-26-20-18-22(32-3)21(31-2)17-19(20)23(27-24)25-9-5-4-6-10-29-11-7-8-12-29/h17-18H,4-16H2,1-3H3,(H,25,26,27)
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051130
PNG
(CHEMBL3318298)
Show SMILES COc1cc2nc(nc(N(C)CCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C24H37N5O2/c1-27(11-5-4-6-12-28-13-7-8-14-28)23-19-17-21(30-2)22(31-3)18-20(19)25-24(26-23)29-15-9-10-16-29/h17-18H,4-16H2,1-3H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/an/a 1.83E+4n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli by ITC assay


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/an/a 3.60E+4n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli by SPR assay


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%