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Compile Data Set for Download or QSAR

Found 281 hits Enz. Inhib. hit(s) with Target = 'Protein G9a (G9a)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300041
PNG
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
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2.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human recombinant G9a catalytic domain amino acid 913 to 1193 expressed in Escherichia coli BL21 (DE3) by isothermal titration ca...


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353128
PNG
(CHEMBL1231795)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1
Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)
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3.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of G9a by fluorescence polarization assay in presence of fluorescein-labeled H3 peptide


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50442103
PNG
(CHEMBL2441082)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34)
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3.70n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Non-competitive inhibition of lysine methyltransferase G9a (unknown origin) using SAM as substrate by Michaelis-Menten kinetic assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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570n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50396981
PNG
(CHEMBL2171174)
Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Competitive inhibition of G9a (unknown origin) using histone-H3 (1 to 21) as substrate preincubated for 10 mins followed by substrate addition measur...


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More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300028
PNG
(CHEMBL569864 | N-(1-benzylpiperidin-4-yl)-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)
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n/an/a 0.110n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300030
PNG
(6,7-Dimaethoxy-2-(4-methylpiperazin-1-yl)-N-(1-met...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCN(C)CC1
Show InChI InChI=1S/C21H32N6O2/c1-25-7-5-15(6-8-25)22-20-16-13-18(28-3)19(29-4)14-17(16)23-21(24-20)27-11-9-26(2)10-12-27/h13-15H,5-12H2,1-4H3,(H,22,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300029
PNG
(6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C22H34N6O2/c1-26-8-5-9-28(13-12-26)22-24-18-15-20(30-4)19(29-3)14-17(18)21(25-22)23-16-6-10-27(2)11-7-16/h14-16H,5-13H2,1-4H3,(H,23,24,25)
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n/an/a 0.230n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300028
PNG
(CHEMBL569864 | N-(1-benzylpiperidin-4-yl)-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)
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n/an/a 0.290n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300029
PNG
(6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C22H34N6O2/c1-26-8-5-9-28(13-12-26)22-24-18-15-20(30-4)19(29-3)14-17(18)21(25-22)23-16-6-10-27(2)11-7-16/h14-16H,5-13H2,1-4H3,(H,23,24,25)
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n/an/a 0.330n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300031
PNG
(6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-(piperi...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCCC1
Show InChI InChI=1S/C21H31N5O2/c1-25-11-7-15(8-12-25)22-20-16-13-18(27-2)19(28-3)14-17(16)23-21(24-20)26-9-5-4-6-10-26/h13-15H,4-12H2,1-3H3,(H,22,23,24)
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n/an/a 0.510n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300031
PNG
(6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-(piperi...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCCC1
Show InChI InChI=1S/C21H31N5O2/c1-25-11-7-15(8-12-25)22-20-16-13-18(27-2)19(28-3)14-17(16)23-21(24-20)26-9-5-4-6-10-26/h13-15H,4-12H2,1-3H3,(H,22,23,24)
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n/an/a 0.550n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300030
PNG
(6,7-Dimaethoxy-2-(4-methylpiperazin-1-yl)-N-(1-met...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCN(C)CC1
Show InChI InChI=1S/C21H32N6O2/c1-25-7-5-15(6-8-25)22-20-16-13-18(28-3)19(29-4)14-17(16)23-21(24-20)27-11-9-26(2)10-12-27/h13-15H,5-12H2,1-4H3,(H,22,23,24)
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n/an/a 0.680n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300032
PNG
(6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-morphol...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCOCC1
Show InChI InChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23)
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n/an/a 0.810n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300034
PNG
(6,7-Dimethoxy-N2,N2-dimethyl-N4-(1-methylpiperidin...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C
Show InChI InChI=1S/C18H27N5O2/c1-22(2)18-20-14-11-16(25-5)15(24-4)10-13(14)17(21-18)19-12-6-8-23(3)9-7-12/h10-12H,6-9H2,1-5H3,(H,19,20,21)
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n/an/a 0.900n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50446378
PNG
(CHEMBL3109639)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C2(C)C
Show InChI InChI=1S/C18H27N3O2/c1-18(2)13-11-15(22-3)16(12-14(13)20-17(18)19)23-10-6-9-21-7-4-5-8-21/h11-12H,4-10H2,1-3H3,(H2,19,20)
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300033
PNG
(CHEMBL585180 | N2,N2-diethyl-6,7-dimethoxy-N4-(1-m...)
Show SMILES CCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C20H31N5O2/c1-6-25(7-2)20-22-16-13-18(27-5)17(26-4)12-15(16)19(23-20)21-14-8-10-24(3)11-9-14/h12-14H,6-11H2,1-5H3,(H,21,22,23)
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n/an/a 0.910n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Thioglo assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50446386
PNG
(CHEMBL3109631)
Show SMILES COc1cc2c(cc1OCC1CCN(C)C1)N=C(N)C21CCC1
Show InChI InChI=1S/C18H25N3O2/c1-21-7-4-12(10-21)11-23-16-9-14-13(8-15(16)22-2)18(5-3-6-18)17(19)20-14/h8-9,12H,3-7,10-11H2,1-2H3,(H2,19,20)
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300034
PNG
(6,7-Dimethoxy-N2,N2-dimethyl-N4-(1-methylpiperidin...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C
Show InChI InChI=1S/C18H27N5O2/c1-22(2)18-20-14-11-16(25-5)15(24-4)10-13(14)17(21-18)19-12-6-8-23(3)9-7-12/h10-12H,6-9H2,1-5H3,(H,19,20,21)
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n/an/a 1.10n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300032
PNG
(6,7-Dimethoxy-N-(1-methylpiperidin-4-yl)-2-morphol...)
Show SMILES COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCOCC1
Show InChI InChI=1S/C20H29N5O3/c1-24-6-4-14(5-7-24)21-19-15-12-17(26-2)18(27-3)13-16(15)22-20(23-19)25-8-10-28-11-9-25/h12-14H,4-11H2,1-3H3,(H,21,22,23)
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n/an/a 1.60n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Thioglo assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300028
PNG
(CHEMBL569864 | N-(1-benzylpiperidin-4-yl)-6,7-dime...)
Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)
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n/an/a 1.70n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353121
PNG
(CHEMBL1829295)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(CC1)C(C)C
Show InChI InChI=1S/C32H53N7O2/c1-24(2)37-15-8-16-39(20-19-37)32-34-28-23-30(41-21-9-14-36-12-6-7-13-36)29(40-5)22-27(28)31(35-32)33-26-10-17-38(18-11-26)25(3)4/h22-26H,6-21H2,1-5H3,(H,33,34,35)
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n/an/a 2n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50442106
PNG
(CHEMBL2441078)
Show SMILES COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1
Show InChI InChI=1S/C29H42F2N6O2/c1-38-25-19-23-24(20-26(25)39-18-4-13-35-11-2-3-12-35)33-28(37-16-9-29(30,31)10-17-37)34-27(23)32-21-7-14-36(15-8-21)22-5-6-22/h19-22H,2-18H2,1H3,(H,32,33,34)
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n/an/a 3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of lysine methyltransferase G9a (unknown origin) using [3H]-SAM as substrate after 0.25 hrs by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of G9a (unknown origin)-mediated incorporation of methyl group from [3H]-SAM into peptide substrate by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
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n/an/a 3.30n/an/an/an/an/an/a



CNRS-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
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n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50446380
PNG
(CHEMBL3109637)
Show SMILES COc1cc2c(cc1OCCCN1CC[C@@H](F)C1)N=C(N)C21CCC1
Show InChI InChI=1S/C19H26FN3O2/c1-24-16-10-14-15(22-18(21)19(14)5-2-6-19)11-17(16)25-9-3-7-23-8-4-13(20)12-23/h10-11,13H,2-9,12H2,1H3,(H2,21,22)/t13-/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353132
PNG
(CHEMBL1829305)
Show SMILES COc1cc2c(NC3CCN(CC4CCCCC4)CC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
Show InChI InChI=1S/C37H61N7O2/c1-29(2)43-19-10-20-44(24-23-43)37-39-33-27-35(46-25-11-18-41-16-8-5-9-17-41)34(45-3)26-32(33)36(40-37)38-31-14-21-42(22-15-31)28-30-12-6-4-7-13-30/h26-27,29-31H,4-25,28H2,1-3H3,(H,38,39,40)
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n/an/a 4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50442105
PNG
(CHEMBL2441077)
Show SMILES COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1OCCCN1CCCC1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C28H42N6O4S/c1-37-25-19-23-24(20-26(25)38-16-4-11-32-9-2-3-10-32)30-28(34-14-17-39(35,36)18-15-34)31-27(23)29-21-7-12-33(13-8-21)22-5-6-22/h19-22H,2-18H2,1H3,(H,29,30,31)
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n/an/a 4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of lysine methyltransferase G9a (unknown origin) using [3H]-SAM as substrate after 0.25 hrs by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50446383
PNG
(CHEMBL3109634)
Show SMILES COc1cc2c(cc1OCCCN1CC(F)C1)N=C(N)C21CCC1
Show InChI InChI=1S/C18H24FN3O2/c1-23-15-8-13-14(21-17(20)18(13)4-2-5-18)9-16(15)24-7-3-6-22-10-12(19)11-22/h8-9,12H,2-7,10-11H2,1H3,(H2,20,21)
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n/an/a 4.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50446385
PNG
(CHEMBL3109632)
Show SMILES COc1cc2c(cc1OCC1CCCN1C)N=C(N)C21CCC1
Show InChI InChI=1S/C18H25N3O2/c1-21-8-3-5-12(21)11-23-16-10-14-13(9-15(16)22-2)18(6-4-7-18)17(19)20-14/h9-10,12H,3-8,11H2,1-2H3,(H2,19,20)
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of G9a (unknown origin) using biotinylated-histone H3(1-21) peptide as substrate after 3 hrs by AlphaLISA assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353120
PNG
(CHEMBL1829294)
Show SMILES CCN1CCCN(CC1)c1nc(NC2CCN(CC2)C(C)C)c2cc(OC)c(OCCCN3CCCC3)cc2n1
Show InChI InChI=1S/C31H51N7O2/c1-5-35-14-8-16-38(20-19-35)31-33-27-23-29(40-21-9-15-36-12-6-7-13-36)28(39-4)22-26(27)30(34-31)32-25-10-17-37(18-11-25)24(2)3/h22-25H,5-21H2,1-4H3,(H,32,33,34)
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n/an/a 5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300038
PNG
(CHEMBL568964 | N-Cyclopropyl-6,7-dimethoxy-2-(4-me...)
Show SMILES COc1cc2nc(nc(NC3CC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C19H27N5O2/c1-23-7-4-8-24(10-9-23)19-21-15-12-17(26-3)16(25-2)11-14(15)18(22-19)20-13-5-6-13/h11-13H,4-10H2,1-3H3,(H,20,21,22)
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n/an/a 5.10n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300039
PNG
(CHEMBL570799 | N-Isopropyl-6,7-dimethoxy-2-(4-meth...)
Show SMILES COc1cc2nc(nc(NC(C)C)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C19H29N5O2/c1-13(2)20-18-14-11-16(25-4)17(26-5)12-15(14)21-19(22-18)24-8-6-7-23(3)9-10-24/h11-13H,6-10H2,1-5H3,(H,20,21,22)
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n/an/a 5.80n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353131
PNG
(CHEMBL1829304)
Show SMILES COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
Show InChI InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)
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n/an/a 6n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300033
PNG
(CHEMBL585180 | N2,N2-diethyl-6,7-dimethoxy-N4-(1-m...)
Show SMILES CCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C20H31N5O2/c1-6-25(7-2)20-22-16-13-18(27-5)17(26-4)12-15(16)19(23-20)21-14-8-10-24(3)11-9-14/h12-14H,6-11H2,1-5H3,(H,21,22,23)
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n/an/a 6.5n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353123
PNG
(CHEMBL1829297)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C36H59N7O2/c1-28(2)42-20-13-30(14-21-42)37-35-31-25-33(44-3)34(45-24-10-18-40-15-7-8-16-40)26-32(31)38-36(39-35)43-19-9-17-41(22-23-43)27-29-11-5-4-6-12-29/h25-26,28-30H,4-24,27H2,1-3H3,(H,37,38,39)
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n/an/a 7n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353133
PNG
(CHEMBL1828637)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
Show InChI InChI=1S/C33H55N7O2/c1-25(2)38-16-9-17-40(21-20-38)33-35-29-24-31(42-22-10-15-37-13-7-6-8-14-37)30(41-5)23-28(29)32(36-33)34-27-11-18-39(19-12-27)26(3)4/h23-27H,6-22H2,1-5H3,(H,34,35,36)
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n/an/a 8n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323808
PNG
(6-Methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-meth...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCCC1)N1CCCN(C)CC1
Show InChI InChI=1S/C28H45N7O2/c1-32-10-6-14-35(18-17-32)28-30-24-21-26(37-19-7-13-34-11-4-5-12-34)25(36-3)20-23(24)27(31-28)29-22-8-15-33(2)16-9-22/h20-22H,4-19H2,1-3H3,(H,29,30,31)
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n/an/a 8n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50442104
PNG
(CHEMBL2441076)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCOCC1
Show InChI InChI=1S/C29H45N5O3/c1-21(2)34-14-7-23(8-15-34)30-29-24-19-26(35-3)27(37-16-6-13-33-11-4-5-12-33)20-25(24)31-28(32-29)22-9-17-36-18-10-22/h19-23H,4-18H2,1-3H3,(H,30,31,32)
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n/an/a 9n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of lysine methyltransferase G9a (unknown origin) using [3H]-SAM as substrate after 0.25 hrs by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50323813
PNG
(7-(2-(2-(Dimethylamino)ethoxy)ethoxy)-6-methoxy-2-...)
Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1
Show InChI InChI=1S/C27H45N7O3/c1-31(2)15-16-36-17-18-37-25-20-23-22(19-24(25)35-5)26(28-21-7-11-33(4)12-8-21)30-27(29-23)34-10-6-9-32(3)13-14-34/h19-21H,6-18H2,1-5H3,(H,28,29,30)
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n/an/a 9n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353125
PNG
(CHEMBL1829299)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C36H53N7O2/c1-28(2)42-20-13-30(14-21-42)37-35-31-25-33(44-3)34(45-24-10-18-40-15-7-8-16-40)26-32(31)38-36(39-35)43-19-9-17-41(22-23-43)27-29-11-5-4-6-12-29/h4-6,11-12,25-26,28,30H,7-10,13-24,27H2,1-3H3,(H,37,38,39)
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n/an/a 9n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300040
PNG
(2-chloro-6,7-dimethoxy-N-(1-methylpiperidin-4-yl)q...)
Show SMILES COc1cc2nc(Cl)nc(NC3CCN(C)CC3)c2cc1OC
Show InChI InChI=1S/C16H21ClN4O2/c1-21-6-4-10(5-7-21)18-15-11-8-13(22-2)14(23-3)9-12(11)19-16(17)20-15/h8-10H,4-7H2,1-3H3,(H,18,19,20)
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n/an/a 9.10n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300036
PNG
(6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(te...)
Show SMILES COc1cc2nc(nc(NC3CCOCC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C21H31N5O3/c1-25-7-4-8-26(10-9-25)21-23-17-14-19(28-3)18(27-2)13-16(17)20(24-21)22-15-5-11-29-12-6-15/h13-15H,4-12H2,1-3H3,(H,22,23,24)
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n/an/a>10n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300037
PNG
(CHEMBL568963 | N-Cyclohexyl-6,7-dimethoxy-2-(4-met...)
Show SMILES COc1cc2nc(nc(NC3CCCCC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C22H33N5O2/c1-26-10-7-11-27(13-12-26)22-24-18-15-20(29-3)19(28-2)14-17(18)21(25-22)23-16-8-5-4-6-9-16/h14-16H,4-13H2,1-3H3,(H,23,24,25)
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n/an/a>10n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


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More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353119
PNG
(CHEMBL1829293)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(C)CC1
Show InChI InChI=1S/C30H49N7O2/c1-23(2)36-16-9-24(10-17-36)31-29-25-21-27(38-4)28(39-20-8-14-35-12-5-6-13-35)22-26(25)32-30(33-29)37-15-7-11-34(3)18-19-37/h21-24H,5-20H2,1-4H3,(H,31,32,33)
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n/an/a 10n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353131
PNG
(CHEMBL1829304)
Show SMILES COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
Show InChI InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)
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n/an/a 10n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a in human IMR90 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353124
PNG
(CHEMBL1829298)
Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(CC1)c1ccccc1
Show InChI InChI=1S/C35H51N7O2/c1-27(2)40-20-13-28(14-21-40)36-34-30-25-32(43-3)33(44-24-10-17-39-15-7-8-16-39)26-31(30)37-35(38-34)42-19-9-18-41(22-23-42)29-11-5-4-6-12-29/h4-6,11-12,25-28H,7-10,13-24H2,1-3H3,(H,36,37,38)
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n/an/a 10n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50353131
PNG
(CHEMBL1829304)
Show SMILES COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
Show InChI InChI=1S/C36H59N7O2/c1-28(2)41-19-10-20-43(24-23-41)36-38-32-27-34(45-25-11-18-40-16-8-5-9-17-40)33(44-3)26-31(32)35(39-36)37-29-14-21-42(22-15-29)30-12-6-4-7-13-30/h26-30H,4-25H2,1-3H3,(H,37,38,39)
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n/an/a 10n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a in human MCF7 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay


Citation and Details
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50300035
PNG
(6,7-Dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(pi...)
Show SMILES COc1cc2nc(nc(NC3CCNCC3)c2cc1OC)N1CCCN(C)CC1
Show InChI InChI=1S/C21H32N6O2/c1-26-9-4-10-27(12-11-26)21-24-17-14-19(29-3)18(28-2)13-16(17)20(25-21)23-15-5-7-22-8-6-15/h13-15,22H,4-12H2,1-3H3,(H,23,24,25)
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n/an/a>10n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Alpha screen assay


Citation and Details
More data for this
Ligand-Target Pair
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