Found 24 hits with Last Name = 'tripodi' and Initial = 'm' 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 deacetylase 6
(Homo sapiens (Human)) | BDBM50540803
(CHEMBL4633299)Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50540804
(CHEMBL4639495)Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(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 Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50540803
(CHEMBL4633299)Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(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 MMDB PDB Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 3
(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
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 Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(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) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC5 using AMC-K(TFA)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50540803
(CHEMBL4633299)Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50540803
(CHEMBL4633299)Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC4 using AMC-K(TFA)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50540804
(CHEMBL4639495)Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC1 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(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 | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50540803
(CHEMBL4633299)Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50540804
(CHEMBL4639495)Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC3 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50540804
(CHEMBL4639495)Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50540804
(CHEMBL4639495)Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using AMC-K(Ac)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50540805
(CHEMBL4641719)Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1ccccc1 Show InChI InChI=1S/C21H23N3O2/c1-13-10-14(2)23-21(26)19(13)12-22-20(25)18-11-15(3)24(16(18)4)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,22,25)(H,23,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human EZH2 using core histone as substrate incubated for 1 hr by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50540803
(CHEMBL4633299)Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human EZH2 using core histone as substrate incubated for 1 hr by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM259332
(US9505745, 9 | US9790212, Example 9)Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C19H20N4O2/c1-12-9-13(2)22-19(25)16(12)10-20-18(24)17-11-21-23(14(17)3)15-7-5-4-6-8-15/h4-9,11H,10H2,1-3H3,(H,20,24)(H,22,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human EZH2 using core histone as substrate incubated for 1 hr by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM50540803
(CHEMBL4633299)Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC5 using AMC-K(TFA)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50540806
(CHEMBL4639520)Show SMILES N[C@@H](CCSP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C14H21N6O8PS/c15-6(14(23)24)1-2-30-29(25,26)27-3-7-9(21)10(22)13(28-7)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)(H,25,26)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human EZH2 using core histone as substrate incubated for 1 hr by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50540803
(CHEMBL4633299)Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC4 using AMC-K(TFA)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM50540804
(CHEMBL4639495)Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC5 using AMC-K(TFA)GL as substrate by fluorescence based assay |
ACS Med Chem Lett 11: 977-983 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B |
More data for this Ligand-Target Pair | |