Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50045464 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50009672
(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 | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SMYD2 (unknown origin) by HMT assay |
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 | 
3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50009672
(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 | PDB
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of EHMT1 (unknown origin) by HMT assay |
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 |
3D Structure (crystal) |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50063670
(CHEMBL3397332)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)-c1ccccc1 |r| | PDB
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| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/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 SUV39H1
(Homo sapiens (Human)) | BDBM50009672
(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 | PDB
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| Article
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SUV39H1 (unknown origin) by HMT assay |
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)) | BDBM50063676
(CHEMBL3397325)Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cnn(c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H28FN9O4S/c25-14-1-3-15(4-2-14)34-9-13(8-32-34)7-28-23(37)16(26)5-6-39-10-17-19(35)20(36)24(38-17)33-12-31-18-21(27)29-11-30-22(18)33/h1-4,8-9,11-12,16-17,19-20,24,35-36H,5-7,10,26H2,(H,28,37)(H2,27,29,30)/t16-,17+,19+,20+,24+/m0/s1 | PDB
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 EHMT2
(Homo sapiens (Human)) | BDBM50009672
(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 | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of G9a (unknown origin) by HMT assay |
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 |
3D Structure (crystal) |
Histone-lysine N-methyltransferase EZH1
(Homo sapiens (Human)) | BDBM50063670
(CHEMBL3397332)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)-c1ccccc1 |r| | PDB
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| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of EZH1 (unknown origin) by HMT assay |
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 SETDB1
(Homo sapiens (Human)) | BDBM50009672
(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 | PDB
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| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SETDB1 (unknown origin) by HMT assay |
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 2A
(Homo sapiens (Human)) | BDBM50009672
(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 | PDB
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| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MLL (unknown origin) by HMT assay |
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 |
3D Structure (crystal) |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50063685
(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 |r| | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 EZH1
(Homo sapiens (Human)) | BDBM50009672
(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 | PDB
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| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of EZH1 (unknown origin) by HMT assay |
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
(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 |r| 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 | PDB
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| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 SUV39H1
(Homo sapiens (Human)) | BDBM50063670
(CHEMBL3397332)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)-c1ccccc1 |r| | PDB
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| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SUV39H1 (unknown origin) by HMT assay |
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 KMT5C
(Homo sapiens (Human)) | BDBM50009672
(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 | PDB
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| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SUV420H2 (unknown origin) by HMT assay |
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 |
3D Structure (crystal) |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50009672
(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 | PDB
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| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50063684
(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 |r| | PDB
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| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/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 2A
(Homo sapiens (Human)) | BDBM50063670
(CHEMBL3397332)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)-c1ccccc1 |r| | PDB
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 1.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MLL (unknown origin) by HMT assay |
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)) | BDBM50063671
(CHEMBL3397316)Show SMILES CCCCNC(=O)[C@@H](N)CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| 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 | PDB
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| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL3397315)Show SMILES CCCCNC(=O)C(N)CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| 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 | PDB
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| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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 |r| 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 | PDB
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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
(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 |r| 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 | PDB
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| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/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 SETD7
(Homo sapiens (Human)) | BDBM50009672
(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 | PDB
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| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SETD7 (unknown origin) by HMT assay |
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 |
3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50063670
(CHEMBL3397332)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)-c1ccccc1 |r| | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of EHMT1 (unknown origin) by HMT assay |
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 SUV39H2
(Homo sapiens (Human)) | BDBM50009672
(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 | PDB
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| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SUV39H2 (unknown origin) by HMT assay |
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
(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 |r| 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 | PDB
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| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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 |r| 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 | PDB
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| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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 |r| | PDB
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| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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 |r| 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 | PDB
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| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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 |r| 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 | PDB
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| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50063682
(CHEMBL3397317)Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCC1CC1 |r| Show InChI InChI=1S/C18H27N7O4S/c19-10(17(28)21-5-9-1-2-9)3-4-30-6-11-13(26)14(27)18(29-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,18,26-27H,1-6,19H2,(H,21,28)(H2,20,22,23)/t10-,11+,13+,14+,18+/m0/s1 | PDB
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| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 EHMT2
(Homo sapiens (Human)) | BDBM50063670
(CHEMBL3397332)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)-c1ccccc1 |r| | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of G9a (unknown origin) by HMT assay |
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 | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50063670
(CHEMBL3397332)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)-c1ccccc1 |r| | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SMYD2 (unknown origin) by HMT assay |
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 SUV39H2
(Homo sapiens (Human)) | BDBM50063670
(CHEMBL3397332)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)-c1ccccc1 |r| | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SUV39H2 (unknown origin) by HMT assay |
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 KMT5C
(Homo sapiens (Human)) | BDBM50063670
(CHEMBL3397332)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)-c1ccccc1 |r| | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SUV420H2 (unknown origin) by HMT assay |
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 SETDB1
(Homo sapiens (Human)) | BDBM50063670
(CHEMBL3397332)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)-c1ccccc1 |r| | PDB
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UniChem
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SETDB1 (unknown origin) by HMT assay |
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 SETD7
(Homo sapiens (Human)) | BDBM50063670
(CHEMBL3397332)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)-c1ccccc1 |r| | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of SETD7 (unknown origin) by HMT assay |
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
(CHEMBL3397318)Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1ccccc1 |r| 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 | PDB
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| n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/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 |
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Ligand-Target Pair | |
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