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13 similar compounds to monomer 50063670

Compile data set for download or QSAR
Wt: 439.5
BDBM50063671
Wt: 439.5
BDBM50063672
Wt: 531.6
BDBM50063673
Wt: 532.6
BDBM50063675
Wt: 553.6
BDBM50063678
Wt: 491.5
BDBM50063679
Wt: 491.5
BDBM50063680
Wt: 473.5
BDBM50063681
Wt: 507.5
BDBM50063683
Wt: 519.6
BDBM50063684
Wt: 517.6
BDBM50063685
Wt: 553.6
BDBM50063677
Wt: 608.7
BDBM50063674

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50063671,50063672,50063673,50063675,50063678,50063679,50063680,50063681,50063683,50063684,50063685,50063677,50063674   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50063671
PNG
(CHEMBL3397316)
Show SMILES CCCCNC(=O)[C@@H](N)CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H29N7O4S/c1-2-3-5-21-17(28)10(19)4-6-30-7-11-13(26)14(27)18(29-11)25-9-24-12-15(20)22-8-23-16(12)25/h8-11,13-14,18,26-27H,2-7,19H2,1H3,(H,21,28)(H2,20,22,23)/t10-,11+,13+,14+,18+/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50063672
PNG
(CHEMBL3397315)
Show SMILES CCCCNC(=O)C(N)CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H29N7O4S/c1-2-3-5-21-17(28)10(19)4-6-30-7-11-13(26)14(27)18(29-11)25-9-24-12-15(20)22-8-23-16(12)25/h8-11,13-14,18,26-27H,2-7,19H2,1H3,(H,21,28)(H2,20,22,23)/t10?,11-,13-,14-,18-/m1/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50063673
PNG
(CHEMBL3397328)
Show SMILES Cn1nc(CNC(=O)[C@@H](N)CCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1C1CCC1
Show InChI InChI=1S/C23H33N9O4S/c1-31-15(12-3-2-4-12)7-13(30-31)8-26-22(35)14(24)5-6-37-9-16-18(33)19(34)23(36-16)32-11-29-17-20(25)27-10-28-21(17)32/h7,10-12,14,16,18-19,23,33-34H,2-6,8-9,24H2,1H3,(H,26,35)(H2,25,27,28)/t14-,16+,18+,19+,23+/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50063674
PNG
(CHEMBL3397327)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cc2CN(Cc3ccccc3)CCn2n1
Show InChI InChI=1S/C28H36N10O4S/c29-20(27(41)31-11-18-10-19-13-36(7-8-38(19)35-18)12-17-4-2-1-3-5-17)6-9-43-14-21-23(39)24(40)28(42-21)37-16-34-22-25(30)32-15-33-26(22)37/h1-5,10,15-16,20-21,23-24,28,39-40H,6-9,11-14,29H2,(H,31,41)(H2,30,32,33)/t20-,21+,23+,24+,28+/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50063675
PNG
(CHEMBL3397326)
Show SMILES CN1CCn2nc(CNC(=O)[C@@H](N)CCSC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)cc2C1
Show InChI InChI=1S/C22H32N10O4S/c1-30-3-4-32-13(8-30)6-12(29-32)7-25-21(35)14(23)2-5-37-9-15-17(33)18(34)22(36-15)31-11-28-16-19(24)26-10-27-20(16)31/h6,10-11,14-15,17-18,22,33-34H,2-5,7-9,23H2,1H3,(H,25,35)(H2,24,26,27)/t14-,15+,17+,18+,22+/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50063677
PNG
(CHEMBL3397324)
Show SMILES Cc1ccccc1-n1cc(CNC(=O)[C@@H](N)CCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cn1
Show InChI InChI=1S/C25H31N9O4S/c1-14-4-2-3-5-17(14)34-10-15(9-32-34)8-28-24(37)16(26)6-7-39-11-18-20(35)21(36)25(38-18)33-13-31-19-22(27)29-12-30-23(19)33/h2-5,9-10,12-13,16,18,20-21,25,35-36H,6-8,11,26H2,1H3,(H,28,37)(H2,27,29,30)/t16-,18+,20+,21+,25+/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50063685
PNG
(CHEMBL3397329)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cc([nH]n1)C1CCC1
Show InChI InChI=1S/C22H31N9O4S/c23-13(21(34)25-7-12-6-14(30-29-12)11-2-1-3-11)4-5-36-8-15-17(32)18(33)22(35-15)31-10-28-16-19(24)26-9-27-20(16)31/h6,9-11,13,15,17-18,22,32-33H,1-5,7-8,23H2,(H,25,34)(H,29,30)(H2,24,26,27)/t13-,15+,17+,18+,22+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50063679
PNG
(CHEMBL3397320)
Show SMILES CCn1cc(CNC(=O)[C@@H](N)CCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cn1
Show InChI InChI=1S/C20H29N9O4S/c1-2-28-7-11(6-27-28)5-23-19(32)12(21)3-4-34-8-13-15(30)16(31)20(33-13)29-10-26-14-17(22)24-9-25-18(14)29/h6-7,9-10,12-13,15-16,20,30-31H,2-5,8,21H2,1H3,(H,23,32)(H2,22,24,25)/t12-,13+,15+,16+,20+/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50063680
PNG
(CHEMBL3397319)
Show SMILES Cc1cc(CNC(=O)[C@@H](N)CCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)n(C)n1
Show InChI InChI=1S/C20H29N9O4S/c1-10-5-11(28(2)27-10)6-23-19(32)12(21)3-4-34-7-13-15(30)16(31)20(33-13)29-9-26-14-17(22)24-8-25-18(14)29/h5,8-9,12-13,15-16,20,30-31H,3-4,6-7,21H2,1-2H3,(H,23,32)(H2,22,24,25)/t12-,13+,15+,16+,20+/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50063681
PNG
(CHEMBL3397318)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H27N7O4S/c22-13(20(31)24-8-12-4-2-1-3-5-12)6-7-33-9-14-16(29)17(30)21(32-14)28-11-27-15-18(23)25-10-26-19(15)28/h1-5,10-11,13-14,16-17,21,29-30H,6-9,22H2,(H,24,31)(H2,23,25,26)/t13-,14+,16+,17+,21+/m0/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50063683
PNG
(CHEMBL3397331)
Show SMILES COCc1cc(CNC(=O)[C@@H](N)CCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)n[nH]1
Show InChI InChI=1S/C20H29N9O5S/c1-33-6-11-4-10(27-28-11)5-23-19(32)12(21)2-3-35-7-13-15(30)16(31)20(34-13)29-9-26-14-17(22)24-8-25-18(14)29/h4,8-9,12-13,15-16,20,30-31H,2-3,5-7,21H2,1H3,(H,23,32)(H,27,28)(H2,22,24,25)/t12-,13+,15+,16+,20+/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50063684
PNG
(CHEMBL3397330)
Show SMILES CC(C)(C)c1cc(CNC(=O)[C@@H](N)CCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)n[nH]1
Show InChI InChI=1S/C22H33N9O4S/c1-22(2,3)14-6-11(29-30-14)7-25-20(34)12(23)4-5-36-8-13-16(32)17(33)21(35-13)31-10-28-15-18(24)26-9-27-19(15)31/h6,9-10,12-13,16-17,21,32-33H,4-5,7-8,23H2,1-3H3,(H,25,34)(H,29,30)(H2,24,26,27)/t12-,13+,16+,17+,21+/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))
BDBM50063678
PNG
(CHEMBL3397323)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C25H31N9O4S/c26-17(24(37)28-8-16-9-32-33(11-16)10-15-4-2-1-3-5-15)6-7-39-12-18-20(35)21(36)25(38-18)34-14-31-19-22(27)29-13-30-23(19)34/h1-5,9,11,13-14,17-18,20-21,25,35-36H,6-8,10,12,26H2,(H,28,37)(H2,27,29,30)/t17-,18+,20+,21+,25+/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...


Bioorg Med Chem Lett 25: 1532-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.017
BindingDB Entry DOI: 10.7270/Q2TM7CSS
More data for this
Ligand-Target Pair