Found 109 hits with Last Name = 'richon' and Initial = 'v' 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 |
|---|
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM92649
(EPZ004777)Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC1OC([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r| Show InChI InChI=1S/C28H41N7O4/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18(8-10-19)28(3,4)5)15-21-22(36)23(37)26(39-21)35-14-11-20-24(29)31-16-32-25(20)35/h7-11,14,16-17,21-23,26,36-37H,6,12-13,15H2,1-5H3,(H2,29,31,32)(H2,30,33,38)/t21?,22-,23-,26?/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
Epizyme Inc.
| Assay Description
Assay of DOT1L enzymatic activity were performed under balanced conditions using a radiometric assay. |
Chem Biol Drug Des 80: 971-80 (2012)
Article DOI: 10.1111/cbdd.12050
BindingDB Entry DOI: 10.7270/Q2Z89B12 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM92648
(EPZ004450)Show SMILES CN(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC1OC([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r| Show InChI InChI=1S/C26H37N7O4/c1-26(2,3)16-6-8-17(9-7-16)31-25(36)28-11-5-12-32(4)14-19-20(34)21(35)24(37-19)33-13-10-18-22(27)29-15-30-23(18)33/h6-10,13,15,19-21,24,34-35H,5,11-12,14H2,1-4H3,(H2,27,29,30)(H2,28,31,36)/t19?,20-,21-,24?/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme Inc.
| Assay Description
Assay of DOT1L enzymatic activity were performed under balanced conditions using a radiometric assay. |
Chem Biol Drug Des 80: 971-80 (2012)
Article DOI: 10.1111/cbdd.12050
BindingDB Entry DOI: 10.7270/Q2Z89B12 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM92647
(EPZ003696)Show SMILES CN(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C25H36N8O4/c1-25(2,3)15-6-8-16(9-7-15)31-24(36)27-10-5-11-32(4)12-17-19(34)20(35)23(37-17)33-14-30-18-21(26)28-13-29-22(18)33/h6-9,13-14,17,19-20,23,34-35H,5,10-12H2,1-4H3,(H2,26,28,29)(H2,27,31,36)/t17?,19-,20-,23?/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme Inc.
| Assay Description
Assay of DOT1L enzymatic activity were performed under balanced conditions using a radiometric assay. |
Chem Biol Drug Des 80: 971-80 (2012)
Article DOI: 10.1111/cbdd.12050
BindingDB Entry DOI: 10.7270/Q2Z89B12 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM92642
(SAH)Show SMILES NC(CCSCC1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r| 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?/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 320 | n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a |
Epizyme Inc.
| Assay Description
Assay of DOT1L enzymatic activity were performed under balanced conditions using a radiometric assay. |
Chem Biol Drug Des 80: 971-80 (2012)
Article DOI: 10.1111/cbdd.12050
BindingDB Entry DOI: 10.7270/Q2Z89B12 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM92646
(EPZ003647)Show SMILES CN(CCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C24H34N8O4/c1-24(2,3)14-5-7-15(8-6-14)30-23(35)26-9-10-31(4)11-16-18(33)19(34)22(36-16)32-13-29-17-20(25)27-12-28-21(17)32/h5-8,12-13,16,18-19,22,33-34H,9-11H2,1-4H3,(H2,25,27,28)(H2,26,30,35)/t16?,18-,19-,22?/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 845 | n/a | n/a | 167 | n/a | n/a | n/a | n/a | n/a |
Epizyme Inc.
| Assay Description
Assay of DOT1L enzymatic activity were performed under balanced conditions using a radiometric assay. |
Chem Biol Drug Des 80: 971-80 (2012)
Article DOI: 10.1111/cbdd.12050
BindingDB Entry DOI: 10.7270/Q2Z89B12 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM92644
(EPZ002446)Show SMILES CC(C)N(C)CC1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H22N6O3/c1-7(2)19(3)4-8-10(21)11(22)14(23-8)20-6-18-9-12(15)16-5-17-13(9)20/h5-8,10-11,14,21-22H,4H2,1-3H3,(H2,15,16,17)/t8?,10-,11-,14?/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme Inc.
| Assay Description
Assay of DOT1L enzymatic activity were performed under balanced conditions using a radiometric assay. |
Chem Biol Drug Des 80: 971-80 (2012)
Article DOI: 10.1111/cbdd.12050
BindingDB Entry DOI: 10.7270/Q2Z89B12 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM92645
(EPZ003144)Show SMILES CN(CCNC(=O)OCC1c2ccccc2-c2ccccc12)CC1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C28H31N7O5/c1-34(12-21-23(36)24(37)27(40-21)35-15-33-22-25(29)31-14-32-26(22)35)11-10-30-28(38)39-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,14-15,20-21,23-24,27,36-37H,10-13H2,1H3,(H,30,38)(H2,29,31,32)/t21?,23-,24-,27?/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme Inc.
| Assay Description
Assay of DOT1L enzymatic activity were performed under balanced conditions using a radiometric assay. |
Chem Biol Drug Des 80: 971-80 (2012)
Article DOI: 10.1111/cbdd.12050
BindingDB Entry DOI: 10.7270/Q2Z89B12 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM92643
(EPZ000004)Show SMILES CN(C)CC1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C12H18N6O3/c1-17(2)3-6-8(19)9(20)12(21-6)18-5-16-7-10(13)14-4-15-11(7)18/h4-6,8-9,12,19-20H,3H2,1-2H3,(H2,13,14,15)/t6?,8-,9-,12?/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme Inc.
| Assay Description
Assay of DOT1L enzymatic activity were performed under balanced conditions using a radiometric assay. |
Chem Biol Drug Des 80: 971-80 (2012)
Article DOI: 10.1111/cbdd.12050
BindingDB Entry DOI: 10.7270/Q2Z89B12 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213122
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-6-yl...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccn1)C(=O)Nc1ccc2ncccc2c1 Show InChI InChI=1S/C23H25N5O4/c29-21(28-32)10-3-1-2-9-20(27-22(30)19-8-4-5-13-25-19)23(31)26-17-11-12-18-16(15-17)7-6-14-24-18/h4-8,11-15,20,32H,1-3,9-10H2,(H,26,31)(H,27,30)(H,28,29)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213132
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-6-yl...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2ncccc2c1 Show InChI InChI=1S/C24H26N4O4/c29-22(28-32)12-6-2-5-11-21(27-23(30)17-8-3-1-4-9-17)24(31)26-19-13-14-20-18(16-19)10-7-15-25-20/h1,3-4,7-10,13-16,21,32H,2,5-6,11-12H2,(H,26,31)(H,27,30)(H,28,29)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213130
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-8-yl...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccn1)C(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C23H25N5O4/c29-20(28-32)13-3-1-2-11-19(27-22(30)18-10-4-5-14-24-18)23(31)26-17-12-6-8-16-9-7-15-25-21(16)17/h4-10,12,14-15,19,32H,1-3,11,13H2,(H,26,31)(H,27,30)(H,28,29)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213124
((S)-benzyl 8-(hydroxyamino)-1,8-dioxo-1-(quinolin-...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2ncccc2c1 Show InChI InChI=1S/C25H28N4O5/c30-23(29-33)12-6-2-5-11-22(28-25(32)34-17-18-8-3-1-4-9-18)24(31)27-20-13-14-21-19(16-20)10-7-15-26-21/h1,3-4,7-10,13-16,22,33H,2,5-6,11-12,17H2,(H,27,31)(H,28,32)(H,29,30)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213128
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-8-yl...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C24H26N4O4/c29-21(28-32)15-6-2-5-13-20(27-23(30)18-9-3-1-4-10-18)24(31)26-19-14-7-11-17-12-8-16-25-22(17)19/h1,3-4,7-12,14,16,20,32H,2,5-6,13,15H2,(H,26,31)(H,27,30)(H,28,29)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149902
(CHEMBL3771372)Show SMILES CCN(C1CCOCC1)c1cc(Cl)cc(C(=O)NCc2c(CC)cc(C)[nH]c2=O)c1C Show InChI InChI=1S/C24H32ClN3O3/c1-5-17-11-15(3)27-24(30)21(17)14-26-23(29)20-12-18(25)13-22(16(20)4)28(6-2)19-7-9-31-10-8-19/h11-13,19H,5-10,14H2,1-4H3,(H,26,29)(H,27,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149895
(CHEMBL3770000)Show SMILES CCN(C1CCOCC1)c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C Show InChI InChI=1S/C23H30BrN3O3/c1-5-27(18-6-8-30-9-7-18)21-12-17(24)11-19(16(21)4)22(28)25-13-20-14(2)10-15(3)26-23(20)29/h10-12,18H,5-9,13H2,1-4H3,(H,25,28)(H,26,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213135
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(phenylamino)o...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H26N4O4/c29-22(28-32)14-6-2-5-13-20(23(30)25-18-10-3-1-4-11-18)27-24(31)21-16-15-17-9-7-8-12-19(17)26-21/h1,3-4,7-12,15-16,20,32H,2,5-6,13-14H2,(H,25,30)(H,27,31)(H,28,29)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149889
(CHEMBL3769571)Show SMILES CCN(C1CCOCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C Show InChI InChI=1S/C23H30ClN3O3/c1-5-27(18-6-8-30-9-7-18)21-12-17(24)11-19(16(21)4)22(28)25-13-20-14(2)10-15(3)26-23(20)29/h10-12,18H,5-9,13H2,1-4H3,(H,25,28)(H,26,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213126
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(phenylamino)o...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccn1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H24N4O4/c25-18(24-28)13-6-2-5-12-17(20(27)22-15-9-3-1-4-10-15)23-19(26)16-11-7-8-14-21-16/h1,3-4,7-11,14,17,28H,2,5-6,12-13H2,(H,22,27)(H,23,26)(H,24,25)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213123
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(phenylamino)o...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C21H25N3O4/c25-19(24-28)15-9-3-8-14-18(21(27)22-17-12-6-2-7-13-17)23-20(26)16-10-4-1-5-11-16/h1-2,4-7,10-13,18,28H,3,8-9,14-15H2,(H,22,27)(H,23,26)(H,24,25)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50200895
((S)-benzyl 8-(hydroxyamino)-1,8-dioxo-1-(quinolin-...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 |r| Show InChI InChI=1S/C25H28N4O5/c30-22(29-33)15-6-2-5-13-21(28-25(32)34-17-18-9-3-1-4-10-18)24(31)27-20-14-7-11-19-12-8-16-26-23(19)20/h1,3-4,7-12,14,16,21,33H,2,5-6,13,15,17H2,(H,27,31)(H,28,32)(H,29,30)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213131
((S)-benzyl 8-(hydroxyamino)-1,8-dioxo-1-(phenylami...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C22H27N3O5/c26-20(25-29)15-9-3-8-14-19(21(27)23-18-12-6-2-7-13-18)24-22(28)30-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19,29H,3,8-9,14-16H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM190198
(EPZ008279 | US9175331, 27)Show SMILES CCN(C1CCOCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(CC)[nH]c2=O)c1C Show InChI InChI=1S/C24H32ClN3O3/c1-5-18-11-15(3)21(24(30)27-18)14-26-23(29)20-12-17(25)13-22(16(20)4)28(6-2)19-7-9-31-10-8-19/h11-13,19H,5-10,14H2,1-4H3,(H,26,29)(H,27,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149901
(CHEMBL3770820)Show SMILES CCN(C1CCOCC1)c1cc(Cl)cc(C(=O)NCc2c(cc(C)[nH]c2=O)C(F)(F)F)c1C Show InChI InChI=1S/C23H27ClF3N3O3/c1-4-30(16-5-7-33-8-6-16)20-11-15(24)10-17(14(20)3)21(31)28-12-18-19(23(25,26)27)9-13(2)29-22(18)32/h9-11,16H,4-8,12H2,1-3H3,(H,28,31)(H,29,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149884
(CHEMBL3770973)Show SMILES CN(C1CCOCC1)c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C Show InChI InChI=1S/C22H28BrN3O3/c1-13-9-14(2)25-22(28)19(13)12-24-21(27)18-10-16(23)11-20(15(18)3)26(4)17-5-7-29-8-6-17/h9-11,17H,5-8,12H2,1-4H3,(H,24,27)(H,25,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149896
(CHEMBL3771013)Show SMILES CN(C1CCNCC1)c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C Show InChI InChI=1S/C22H29BrN4O2/c1-13-9-14(2)26-22(29)19(13)12-25-21(28)18-10-16(23)11-20(15(18)3)27(4)17-5-7-24-8-6-17/h9-11,17,24H,5-8,12H2,1-4H3,(H,25,28)(H,26,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149882
(CHEMBL3771083)Show SMILES CN(C1CCCC1)c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C Show InChI InChI=1S/C22H28BrN3O2/c1-13-9-14(2)25-22(28)19(13)12-24-21(27)18-10-16(23)11-20(15(18)3)26(4)17-7-5-6-8-17/h9-11,17H,5-8,12H2,1-4H3,(H,24,27)(H,25,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213133
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-8-yl...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C27H27N5O4/c33-24(32-36)14-3-1-2-12-22(26(34)30-21-13-6-9-19-10-7-17-28-25(19)21)31-27(35)23-16-15-18-8-4-5-11-20(18)29-23/h4-11,13,15-17,22,36H,1-3,12,14H2,(H,30,34)(H,31,35)(H,32,33)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50200917
((S)-benzyl 1-(benzylamino)-8-(hydroxyamino)-1,8-di...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C23H29N3O5/c27-21(26-30)15-9-3-8-14-20(22(28)24-16-18-10-4-1-5-11-18)25-23(29)31-17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20,30H,3,8-9,14-17H2,(H,24,28)(H,25,29)(H,26,27)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149706
(CHEMBL3769652)Show SMILES CN(C)C(=O)N1CCC(CC1)n1ncc2c(cc(Br)nc12)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C23H28BrN7O3/c1-13-9-14(2)27-22(33)17(13)11-25-21(32)16-10-19(24)28-20-18(16)12-26-31(20)15-5-7-30(8-6-15)23(34)29(3)4/h9-10,12,15H,5-8,11H2,1-4H3,(H,25,32)(H,27,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149705
(CHEMBL3771343)Show SMILES Cc1cc(C)c(CNC(=O)c2cc(Br)nc3n(ncc23)C2CCN(CC2)C(=O)C(C)(C)C)c(=O)[nH]1 Show InChI InChI=1S/C25H31BrN6O3/c1-14-10-15(2)29-23(34)18(14)12-27-22(33)17-11-20(26)30-21-19(17)13-28-32(21)16-6-8-31(9-7-16)24(35)25(3,4)5/h10-11,13,16H,6-9,12H2,1-5H3,(H,27,33)(H,29,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213127
((S)-N-(1-(benzylamino)-8-(hydroxyamino)-1,8-dioxoo...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C25H28N4O4/c30-23(29-33)14-6-2-5-13-21(24(31)26-17-18-9-3-1-4-10-18)28-25(32)22-16-15-19-11-7-8-12-20(19)27-22/h1,3-4,7-12,15-16,21,33H,2,5-6,13-14,17H2,(H,26,31)(H,28,32)(H,29,30)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 51.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213134
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-6-yl...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc2ncccc2c1 Show InChI InChI=1S/C27H27N5O4/c33-25(32-36)11-3-1-2-10-23(26(34)29-20-13-15-21-19(17-20)8-6-16-28-21)31-27(35)24-14-12-18-7-4-5-9-22(18)30-24/h4-9,12-17,23,36H,1-3,10-11H2,(H,29,34)(H,31,35)(H,32,33)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149703
(CHEMBL3770438)Show SMILES Cc1cc(C)c(CNC(=O)c2cc(Br)nc3n(ncc23)C2CCCC2)c(=O)[nH]1 Show InChI InChI=1S/C20H22BrN5O2/c1-11-7-12(2)24-20(28)15(11)9-22-19(27)14-8-17(21)25-18-16(14)10-23-26(18)13-5-3-4-6-13/h7-8,10,13H,3-6,9H2,1-2H3,(H,22,27)(H,24,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213129
((S)-N-(1-(benzylamino)-8-(hydroxyamino)-1,8-dioxoo...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C22H27N3O4/c26-20(25-29)15-9-3-8-14-19(24-21(27)18-12-6-2-7-13-18)22(28)23-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19,29H,3,8-9,14-16H2,(H,23,28)(H,24,27)(H,25,26)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149909
(CHEMBL3770154)Show SMILES CCN(C1CCOCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)n(C)c2=O)c1C Show InChI InChI=1S/C24H32ClN3O3/c1-6-28(19-7-9-31-10-8-19)22-13-18(25)12-20(17(22)4)23(29)26-14-21-15(2)11-16(3)27(5)24(21)30/h11-13,19H,6-10,14H2,1-5H3,(H,26,29) | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149898
(CHEMBL3771269)Show SMILES CCN(C1CCOCC1)c1cc(Cl)cc(C(=O)NCc2c(C)cc[nH]c2=O)c1C Show InChI InChI=1S/C22H28ClN3O3/c1-4-26(17-6-9-29-10-7-17)20-12-16(23)11-18(15(20)3)21(27)25-13-19-14(2)5-8-24-22(19)28/h5,8,11-12,17H,4,6-7,9-10,13H2,1-3H3,(H,24,28)(H,25,27) | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213125
((S)-N-(1-(benzylamino)-8-(hydroxyamino)-1,8-dioxoo...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccn1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C21H26N4O4/c26-19(25-29)13-6-2-5-12-18(24-21(28)17-11-7-8-14-22-17)20(27)23-15-16-9-3-1-4-10-16/h1,3-4,7-11,14,18,29H,2,5-6,12-13,15H2,(H,23,27)(H,24,28)(H,25,26)/t18-/m0/s1 | PDB
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149704
(CHEMBL3771135)Show SMILES Cc1cc(C)c(CNC(=O)c2cc(Br)nc3n(ncc23)C2CCN(CC2)C(=O)OC(C)(C)C)c(=O)[nH]1 Show InChI InChI=1S/C25H31BrN6O4/c1-14-10-15(2)29-23(34)18(14)12-27-22(33)17-11-20(26)30-21-19(17)13-28-32(21)16-6-8-31(9-7-16)24(35)36-25(3,4)5/h10-11,13,16H,6-9,12H2,1-5H3,(H,27,33)(H,29,34) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149602
(CHEMBL3770239 | US10273223, Compound A-10 | US9637...)Show SMILES CC(C)n1ncc2c(cc(nc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H32N8O2/c1-16(2)35-25-22(15-31-35)20(26(36)30-14-21-17(3)11-18(4)32-27(21)37)12-23(33-25)19-5-6-24(29-13-19)34-9-7-28-8-10-34/h5-6,11-13,15-16,28H,7-10,14H2,1-4H3,(H,30,36)(H,32,37) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149907
(CHEMBL3770109)Show SMILES CCN(C1CCOCC1)c1ccc(Cl)c(C(=O)N(C)Cc2c(C)cc(C)[nH]c2=O)c1C Show InChI InChI=1S/C24H32ClN3O3/c1-6-28(18-9-11-31-12-10-18)21-8-7-20(25)22(17(21)4)24(30)27(5)14-19-15(2)13-16(3)26-23(19)29/h7-8,13,18H,6,9-12,14H2,1-5H3,(H,26,29) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149900
(CHEMBL3769624)Show SMILES CCN(C1CCOCC1)c1cc(Cl)cc(C(=O)NCc2c(CO)cc(C)[nH]c2=O)c1C Show InChI InChI=1S/C23H30ClN3O4/c1-4-27(18-5-7-31-8-6-18)21-11-17(24)10-19(15(21)3)22(29)25-12-20-16(13-28)9-14(2)26-23(20)30/h9-11,18,28H,4-8,12-13H2,1-3H3,(H,25,29)(H,26,30) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149899
(CHEMBL3770788)Show SMILES CCN(C1CCOCC1)c1cc(Cl)cc(C(=O)NCc2ccc(C)[nH]c2=O)c1C Show InChI InChI=1S/C22H28ClN3O3/c1-4-26(18-7-9-29-10-8-18)20-12-17(23)11-19(15(20)3)22(28)24-13-16-6-5-14(2)25-21(16)27/h5-6,11-12,18H,4,7-10,13H2,1-3H3,(H,24,28)(H,25,27) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
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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US Patent
| n/a | n/a | 263 | n/a | n/a | n/a | n/a | 7.6 | n/a |
Epizyme, Inc.
US Patent
| Assay Description
S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c... |
US Patent US9333217 (2016)
BindingDB Entry DOI: 10.7270/Q2XP73TJ |
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 | 263 | n/a | n/a | n/a | n/a | 7.6 | n/a |
Epizyme, Inc.
US Patent
| Assay Description
Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibit... |
US Patent US8895245 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7GBK |
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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US Patent
| n/a | n/a | 283 | n/a | n/a | n/a | n/a | 7.6 | n/a |
Epizyme, Inc.
US Patent
| Assay Description
S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c... |
US Patent US9333217 (2016)
BindingDB Entry DOI: 10.7270/Q2XP73TJ |
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 | 283 | n/a | n/a | n/a | n/a | 7.6 | n/a |
Epizyme, Inc.
US Patent
| Assay Description
Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibit... |
US Patent US8895245 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7GBK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50149616
(CHEMBL3770922 | US10273223, Compound B-36 | US9637...)Show SMILES CC(C)n1ncc2c(cc(nc12)C1=CC(C)(C)NC(C)(C)C1)C(=O)NCc1c(C)cc(C)[nH]c1=O |t:14| Show InChI InChI=1S/C27H36N6O2/c1-15(2)33-23-21(14-29-33)19(24(34)28-13-20-16(3)9-17(4)30-25(20)35)10-22(31-23)18-11-26(5,6)32-27(7,8)12-18/h9-11,14-15,32H,12-13H2,1-8H3,(H,28,34)(H,30,35) | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme
Curated by ChEMBL
| Assay Description
Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay |
J Med Chem 59: 1556-64 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01501
BindingDB Entry DOI: 10.7270/Q2B56MM7 |
More data for this
Ligand-Target Pair | |
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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US Patent
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | 7.6 | n/a |
Epizyme, Inc.
US Patent
| Assay Description
Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibit... |
US Patent US8895245 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7GBK |
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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US Patent
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | 7.6 | n/a |
Epizyme, Inc.
US Patent
| Assay Description
S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c... |
US Patent US9333217 (2016)
BindingDB Entry DOI: 10.7270/Q2XP73TJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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