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Compile Data Set for Download or QSAR

Found 308 hits Enz. Inhib. hit(s) with Target = 'Protein G9a (G9a)'   
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
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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n/an/an/a 23n/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Binding affinity to G9a by isothermal titration calorimetry


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
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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n/an/an/a 23n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to G9a by isothermal titration colorimetry


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
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/an/a 130n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to G9a by isothermal titration colorimetry


J Med Chem 53: 5844-57 (2010)


Article DOI: 10.1021/jm100478y
BindingDB Entry DOI: 10.7270/Q2DZ08H1
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50396024
PNG
(CHEMBL1232453)
Show SMILES COc1cc2c(NC3CCN(CCCCCN)CC3)nc(NCCCN(C)C)nc2cc1OCCCCCN
Show InChI InChI=1S/C29H52N8O2/c1-36(2)16-10-15-32-29-34-25-22-27(39-20-9-5-7-14-31)26(38-3)21-24(25)28(35-29)33-23-11-18-37(19-12-23)17-8-4-6-13-30/h21-23H,4-20,30-31H2,1-3H3,(H2,32,33,34,35)
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n/an/an/a 164n/an/an/an/an/a



TBA

Curated by ChEMBL


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...


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
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

Curated by ChEMBL


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...


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin) using histone H3 (1 to 25 residues) as substrate preincubated for 2 mins followed by substrate addition measured f...


Bioorg Med Chem 24: 6102-6108 (2016)


Article DOI: 10.1016/j.bmc.2016.09.071
BindingDB Entry DOI: 10.7270/Q29C70D7
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


J Med Chem 56: 8931-42 (2013)


Article DOI: 10.1021/jm401480r
BindingDB Entry DOI: 10.7270/Q2NZ892T
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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Competitive inhibition of G9a (unknown origin) by Morrison plot analysis in presence of histone H3 (1 to 25 residues)


Bioorg Med Chem 24: 6102-6108 (2016)


Article DOI: 10.1016/j.bmc.2016.09.071
BindingDB Entry DOI: 10.7270/Q29C70D7
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

Curated by ChEMBL


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


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
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)


J Med Chem 56: 8972-83 (2013)


Article DOI: 10.1021/jm4007752
BindingDB Entry DOI: 10.7270/Q2D50PDQ
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...


J Med Chem 58: 1596-629 (2015)


Article DOI: 10.1021/jm501234a
BindingDB Entry DOI: 10.7270/Q28K7BS2
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225230
PNG
(EED226)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research



Assay Description
All HMT reactions were performed as described previously [Nasveschuk et al., ACS Med. Chem. Lett., 5:378-383].


Nat Chem Biol 13: 381-388 (2017)


Article DOI: 10.1038/nchembio.2304
BindingDB Entry DOI: 10.7270/Q2S75F64
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225240
PNG
(3,5-Difluoro-N-(2-phenylbenzo[d]oxazol-6-yl)benzen...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C46H64N11O18P/c1-23(2)38(44(68)53-29(15-16-37(61)62)40(64)51-24(3)39(63)55-32(46(70)71)21-35(49)59)56-42(66)31(19-26-11-13-27(14-12-26)75-76(72,73)74)54-41(65)30(18-25-8-5-4-6-9-25)52-36(60)22-50-43(67)33-10-7-17-57(33)45(69)28(47)20-34(48)58/h4-6,8-9,11-14,23-24,28-33,38H,7,10,15-22,47H2,1-3H3,(H2,48,58)(H2,49,59)(H,50,67)(H,51,64)(H,52,60)(H,53,68)(H,54,65)(H,55,63)(H,56,66)(H,61,62)(H,70,71)(H2,72,73,74)/t24-,28-,29-,30-,31-,32-,33-,38-/m0/s1
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n/an/a 3.32E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225241
PNG
(3-Nitro-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesulf...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C63H91N12O24P/c1-6-32(3)51(60(91)71-44(63(94)95)31-35-12-16-37(76)17-13-35)72-59(90)46-11-9-29-75(46)62(93)52(33(4)7-2)73-56(87)41(22-26-49(80)81)66-54(85)40(21-25-48(78)79)67-57(88)43(30-36-14-18-38(19-15-36)99-100(96,97)98)70-55(86)39(20-24-47(65)77)68-58(89)45-10-8-28-74(45)61(92)42(23-27-50(82)83)69-53(84)34(5)64/h12-19,32-34,39-46,51-52,76H,6-11,20-31,64H2,1-5H3,(H2,65,77)(H,66,85)(H,67,88)(H,68,89)(H,69,84)(H,70,86)(H,71,91)(H,72,90)(H,73,87)(H,78,79)(H,80,81)(H,82,83)(H,94,95)(H2,96,97,98)/t32-,33-,34-,39-,40-,41-,42-,43-,44-,45-,46-,51-,52-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225242
PNG
(2-Methoxy-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesu...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C66H85N14O25P/c1-32(2)23-42(73-62(96)46(28-52(69)83)72-56(90)39(67)27-53(84)85)58(92)74-43(24-33-11-15-36(81)16-12-33)59(93)75-44(25-34-13-17-37(18-14-34)105-106(102,103)104)60(94)76-45(26-35-31-70-40-8-4-3-7-38(35)40)61(95)77-47(29-54(86)87)63(97)71-41(19-20-51(68)82)57(91)78-48(30-55(88)89)64(98)79-21-5-9-49(79)65(99)80-22-6-10-50(80)66(100)101/h3-4,7-8,11-18,31-32,39,41-50,70,81H,5-6,9-10,19-30,67H2,1-2H3,(H2,68,82)(H2,69,83)(H,71,97)(H,72,90)(H,73,96)(H,74,92)(H,75,93)(H,76,94)(H,77,95)(H,78,91)(H,84,85)(H,86,87)(H,88,89)(H,100,101)(H2,102,103,104)/t39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a 1.53E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225243
PNG
(IR-pep | N-(2-Phenyl-1H-1l3-benzo[d]oxazol-6-yl)-4...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C60H83N12O24P/c1-29(2)48(70-56(87)43(28-74)69-55(86)42(27-73)68-50(81)36-11-7-21-61-36)58(89)67-39(23-31-13-15-33(16-14-31)96-97(93,94)95)54(85)71-49(30(3)4)59(90)72-22-8-12-44(72)57(88)66-41(25-47(79)80)53(84)63-37(17-19-45(75)76)51(82)65-40(24-32-26-62-35-10-6-5-9-34(32)35)52(83)64-38(60(91)92)18-20-46(77)78/h5-6,9-10,13-16,26,29-30,36-44,48-49,61-62,73-74H,7-8,11-12,17-25,27-28H2,1-4H3,(H,63,84)(H,64,83)(H,65,82)(H,66,88)(H,67,89)(H,68,81)(H,69,86)(H,70,87)(H,71,85)(H,75,76)(H,77,78)(H,79,80)(H,91,92)(H2,93,94,95)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,48-,49-/m0/s1
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n/an/a 2.62E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225244
PNG
(IGF1R-pep | N-(2-phenylbenzo[d]oxazol-6-yl)-4-(tri...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C63H88N13O26P/c1-32(2)52(76-53(87)38(65)19-22-49(81)82)62(96)75-47(31-78)61(95)72-42(26-33-8-4-3-5-9-33)56(90)70-43(28-35-13-17-37(18-14-35)102-103(99,100)101)57(91)71-44(27-34-11-15-36(79)16-12-34)58(92)74-46(30-77)60(94)68-39(20-23-50(83)84)54(88)67-40(21-24-51(85)86)55(89)73-45(29-48(66)80)59(93)69-41(63(97)98)10-6-7-25-64/h3-5,8-9,11-18,32,38-47,52,77-79H,6-7,10,19-31,64-65H2,1-2H3,(H2,66,80)(H,67,88)(H,68,94)(H,69,93)(H,70,90)(H,71,91)(H,72,95)(H,73,89)(H,74,92)(H,75,96)(H,76,87)(H,81,82)(H,83,84)(H,85,86)(H,97,98)(H2,99,100,101)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225245
PNG
(4-Fluoro-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesul...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C56H76N11O22PS2/c1-30(68)48(55(83)63-37(19-21-91-2)51(79)66-42(56(84)85)26-47(75)76)67-52(80)38(20-22-92-3)62-53(81)40(25-32-9-13-34(69)14-10-32)61-45(72)29-59-49(77)39(24-33-11-15-35(16-12-33)89-90(86,87)88)64-54(82)41(23-31-7-5-4-6-8-31)65-50(78)36(17-18-46(73)74)60-44(71)28-58-43(70)27-57/h4-16,30,36-42,48,68-69H,17-29,57H2,1-3H3,(H,58,70)(H,59,77)(H,60,71)(H,61,72)(H,62,81)(H,63,83)(H,64,82)(H,65,78)(H,66,79)(H,67,80)(H,73,74)(H,75,76)(H,84,85)(H2,86,87,88)/t30-,36+,37+,38+,39+,40+,41+,42+,48+/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225246
PNG
(4-Cyano-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesulf...)
Show SMILES O=S(=O)(Nc1ccc2nc(oc2c1)-c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H13N3O3S/c21-13-14-6-9-17(10-7-14)27(24,25)23-16-8-11-18-19(12-16)26-20(22-18)15-4-2-1-3-5-15/h1-12,23H
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n/an/a 3.04E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225247
PNG
(2-Bromo-N-(2-phenylbenzo[d]oxazol-6-yl)benzenesulf...)
Show SMILES Brc1ccccc1S(=O)(=O)Nc1ccc2nc(oc2c1)-c1ccccc1
Show InChI InChI=1S/C19H13BrN2O3S/c20-15-8-4-5-9-18(15)26(23,24)22-14-10-11-16-17(12-14)25-19(21-16)13-6-2-1-3-7-13/h1-12,22H
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n/an/a>4.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225248
PNG
(4-(tert-Butyl)-N-(2-phenylbenzo[d]oxazol-6-yl)benz...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nc(oc2c1)-c1ccccc1
Show InChI InChI=1S/C23H22N2O3S/c1-23(2,3)17-9-12-19(13-10-17)29(26,27)25-18-11-14-20-21(15-18)28-22(24-20)16-7-5-4-6-8-16/h4-15,25H,1-3H3
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n/an/a 3.63E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225249
PNG
(2-Methoxy-N-(2-phenylbenzo[d]oxazol-6-yl)benzamide...)
Show SMILES COc1ccccc1C(=O)Nc1ccc2nc(oc2c1)-c1ccccc1
Show InChI InChI=1S/C21H16N2O3/c1-25-18-10-6-5-9-16(18)20(24)22-15-11-12-17-19(13-15)26-21(23-17)14-7-3-2-4-8-14/h2-13H,1H3,(H,22,24)
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n/an/a 1.28E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225250
PNG
(2-Fluoro-N-(2-phenylbenzo[d]oxazol-6-yl)benzamide ...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc2nc(oc2c1)-c1ccccc1
Show InChI InChI=1S/C20H13FN2O2/c21-16-9-5-4-8-15(16)19(24)22-14-10-11-17-18(12-14)25-20(23-17)13-6-2-1-3-7-13/h1-12H,(H,22,24)
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Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225251
PNG
(3-Bromo-N-(2-phenylbenzo[d]oxazol-6-yl)benzamide (...)
Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2nc(oc2c1)-c1ccccc1
Show InChI InChI=1S/C20H13BrN2O2/c21-15-8-4-7-14(11-15)19(24)22-16-9-10-17-18(12-16)25-20(23-17)13-5-2-1-3-6-13/h1-12H,(H,22,24)
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n/an/a 1.53E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225252
PNG
(3-Nitro-N-(2-phenyl-1-(3-phenylpropyl)-1H-benzo[d]...)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C28H24N4O4S/c33-32(34)24-14-7-15-25(20-24)37(35,36)30-23-16-17-27-26(19-23)29-28(22-12-5-2-6-13-22)31(27)18-8-11-21-9-3-1-4-10-21/h1-7,9-10,12-17,19-20,30H,8,11,18H2
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n/an/a 3.54E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225253
PNG
(2-Methoxy-N-(2-phenyl-1-(3-phenylpropyl)-1H-benzo[...)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C29H27N3O3S/c1-35-27-16-8-9-17-28(27)36(33,34)31-24-18-19-26-25(21-24)30-29(23-14-6-3-7-15-23)32(26)20-10-13-22-11-4-2-5-12-22/h2-9,11-12,14-19,21,31H,10,13,20H2,1H3
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n/an/a 2.63E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225254
PNG
(N-(2-phenyl-1-(3-phenylpropyl)-1H-benzo[d]imidazol...)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C29H24F3N3O2S/c30-29(31,32)23-13-16-25(17-14-23)38(36,37)34-24-15-18-27-26(20-24)33-28(22-11-5-2-6-12-22)35(27)19-7-10-21-8-3-1-4-9-21/h1-6,8-9,11-18,20,34H,7,10,19H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225255
PNG
(N-(2-phenyl-1-(3-phenylpropyl)-1H-benzo[d]imidazol...)
Show SMILES FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C29H24F3N3O3S/c30-29(31,32)38-24-14-16-25(17-15-24)39(36,37)34-23-13-18-27-26(20-23)33-28(22-11-5-2-6-12-22)35(27)19-7-10-21-8-3-1-4-9-21/h1-6,8-9,11-18,20,34H,7,10,19H2
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n/an/a 2.19E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225256
PNG
(4-Fluoro-N-(2-phenyl-1-(3-phenylpropyl)-1H-benzo[d...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C28H24FN3O2S/c29-23-13-16-25(17-14-23)35(33,34)31-24-15-18-27-26(20-24)30-28(22-11-5-2-6-12-22)32(27)19-7-10-21-8-3-1-4-9-21/h1-6,8-9,11-18,20,31H,7,10,19H2
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n/an/a 1.61E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225257
PNG
(4-Cyano-N-(2-phenyl-1-(3-phenylpropyl)-1H-benzo[d]...)
Show SMILES O=S(=O)(Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H24N4O2S/c30-21-23-13-16-26(17-14-23)36(34,35)32-25-15-18-28-27(20-25)31-29(24-11-5-2-6-12-24)33(28)19-7-10-22-8-3-1-4-9-22/h1-6,8-9,11-18,20,32H,7,10,19H2
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n/an/a 1.88E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225258
PNG
(2-Bromo-N-(2-phenyl-1-(3-phenylpropyl)-1H-benzo[d]...)
Show SMILES Brc1ccccc1S(=O)(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C28H24BrN3O2S/c29-24-15-7-8-16-27(24)35(33,34)31-23-17-18-26-25(20-23)30-28(22-13-5-2-6-14-22)32(26)19-9-12-21-10-3-1-4-11-21/h1-8,10-11,13-18,20,31H,9,12,19H2
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n/an/a 2.08E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225259
PNG
(4-(tert-Butyl)-N-(2-phenyl-1-(3-phenylpropyl)-1H-b...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C32H33N3O2S/c1-32(2,3)26-16-19-28(20-17-26)38(36,37)34-27-18-21-30-29(23-27)33-31(25-14-8-5-9-15-25)35(30)22-10-13-24-11-6-4-7-12-24/h4-9,11-12,14-21,23,34H,10,13,22H2,1-3H3
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n/an/a 1.63E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225260
PNG
(2-Fluoro-N-(2-phenyl-1-(3-phenylpropyl)-1H-benzo[d...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C29H24FN3O/c30-25-16-8-7-15-24(25)29(34)31-23-17-18-27-26(20-23)32-28(22-13-5-2-6-14-22)33(27)19-9-12-21-10-3-1-4-11-21/h1-8,10-11,13-18,20H,9,12,19H2,(H,31,34)
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n/an/a 9.59E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225264
PNG
(3-Bromo-N-(2-phenyl-1-(3-phenylpropyl)-1H-benzo[d]...)
Show SMILES Brc1cccc(c1)C(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C29H24BrN3O/c30-24-15-7-14-23(19-24)29(34)31-25-16-17-27-26(20-25)32-28(22-12-5-2-6-13-22)33(27)18-8-11-21-9-3-1-4-10-21/h1-7,9-10,12-17,19-20H,8,11,18H2,(H,31,34)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225261
PNG
(2-Methoxy-N-(2-phenyl-1-(3-phenylpropyl)-1H-benzo[...)
Show SMILES COc1ccccc1C(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
Show InChI InChI=1S/C30H27N3O2/c1-35-28-17-9-8-16-25(28)30(34)31-24-18-19-27-26(21-24)32-29(23-14-6-3-7-15-23)33(27)20-10-13-22-11-4-2-5-12-22/h2-9,11-12,14-19,21H,10,13,20H2,1H3,(H,31,34)
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n/an/a 1.75E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225262
PNG
(N-(2-phenyl-1-(3-phenylpropyl)-1H-benzo[d]imidazol...)
Show SMILES O=C(Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H29N3O/c39-35(30-20-18-28(19-21-30)27-14-6-2-7-15-27)36-31-22-23-33-32(25-31)37-34(29-16-8-3-9-17-29)38(33)24-10-13-26-11-4-1-5-12-26/h1-9,11-12,14-23,25H,10,13,24H2,(H,36,39)
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n/an/a 1.22E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM225263
PNG
(Brd4470)
Show SMILES COC(=O)c1ccc2n(CCCc3ccccc3)c(NC(=O)c3ccccc3)nc2c1
Show InChI InChI=1S/C25H23N3O3/c1-31-24(30)20-14-15-22-21(17-20)26-25(27-23(29)19-12-6-3-7-13-19)28(22)16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-15,17H,8,11,16H2,1H3,(H,26,27,29)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University



Assay Description
Biochemical activity of G9a was measured as described [Kubicek et al., Mol. Cell, 25:473-481]. Assays were performed in white, opaque 384-well plates...


Bioorg Chem 72: 168-181 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.005
BindingDB Entry DOI: 10.7270/Q2T152HV
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50001750
PNG
(CHEMBL3238424)
Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)
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n/an/a 2.64E+4n/an/an/an/an/an/a



Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of C-terminal GST-tagged human G9a-mediated-methylation of histone3 expressed in Escherichia coli BL21(DE3) by MALDI-TOF mass spectrometry


Bioorg Med Chem 22: 2253-60 (2014)


Article DOI: 10.1016/j.bmc.2014.02.024
BindingDB Entry DOI: 10.7270/Q2FB54FG
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50010378
PNG
(CHEMBL3263624)
Show SMILES CCCCC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H21N5O3/c1-2-3-4-5-8-10(20)11(21)14(22-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,2-5H2,1H3,(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
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n/an/a 1.03E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of methyltransferase activity of EHMT2 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


Citation and Details

Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50010379
PNG
(CHEMBL3263625)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCCc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H21N5O3/c19-16-13-17(21-9-20-16)23(10-22-13)18-15(25)14(24)12(26-18)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,12,14-15,18,24-25H,4,7-8H2,(H2,19,20,21)/t12-,14-,15-,18-/m1/s1
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n/an/a 1.90E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of methyltransferase activity of EHMT2 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


Citation and Details

Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50010380
PNG
(CHEMBL3263626)
Show SMILES NC(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)CC1CCCCC1
Show InChI InChI=1S/C18H28N6O3/c19-11(6-10-4-2-1-3-5-10)7-12-14(25)15(26)18(27-12)24-9-23-13-16(20)21-8-22-17(13)24/h8-12,14-15,18,25-26H,1-7,19H2,(H2,20,21,22)/t11?,12-,14-,15-,18-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of methyltransferase activity of EHMT2 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


Citation and Details

Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50010381
PNG
(CHEMBL3263627)
Show SMILES COc1ccc(CC(N)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1OC
Show InChI InChI=1S/C20H26N6O5/c1-29-12-4-3-10(6-13(12)30-2)5-11(21)7-14-16(27)17(28)20(31-14)26-9-25-15-18(22)23-8-24-19(15)26/h3-4,6,8-9,11,14,16-17,20,27-28H,5,7,21H2,1-2H3,(H2,22,23,24)/t11?,14-,16-,17-,20-/m1/s1
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n/an/a 1.57E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of methyltransferase activity of EHMT2 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


Citation and Details

Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50378739
PNG
(SINEFUNGIN)
Show SMILES N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
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n/an/a 5.09E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of methyltransferase activity of EHMT2 (unknown origin)-mediated dimethylation of a biotinylated histone H3 peptide at lysine-9 by FRET-ba...


Citation and Details

Article DOI: 10.1021/ml4002503
BindingDB Entry DOI: 10.7270/Q2N58NWS
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


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
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


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
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


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
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


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
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


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
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


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
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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n/an/a 15n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of G9a by Thioglo assay


J Med Chem 52: 7950-3 (2009)


Article DOI: 10.1021/jm901543m
BindingDB Entry DOI: 10.7270/Q2542NP4
More data for this
Ligand-Target Pair
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