Found 171 hits with Last Name = 'arimondo' and Initial = 'pb' 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)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50446376
(CHEMBL3109630)Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Pierre Fabre
Curated by ChEMBL
| Assay Description Inhibition of G9a (unknown origin) |
J Med Chem 58: 2569-83 (2015)
Article DOI: 10.1021/jm500843d BindingDB Entry DOI: 10.7270/Q24T6M36 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50506775
(CHEMBL4593437)Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H23N3O3S/c26-20(25-28)9-5-2-6-14-29-22-23-19(15-21(27)24-22)18-12-10-17(11-13-18)16-7-3-1-4-8-16/h1,3-4,7-8,10-13,15,28H,2,5-6,9,14H2,(H,25,26)(H,23,24,27) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50506777
(CHEMBL4476057)Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N3O3S/c23-17(22-25)7-3-4-10-26-19-20-16(12-18(24)21-19)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11-12,25H,3-4,7,10H2,(H,22,23)(H,20,21,24) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50581290
(CHEMBL5093179)Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant HDAC6 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50506780
(CHEMBL4550522)Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C20H17N3O3/c24-19(23-26)11-10-16-8-9-17(13-21-16)22-20(25)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13,26H,12H2,(H,22,25)(H,23,24)/b11-10+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50506778
(CHEMBL4469596)Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H21N3O3S/c24-18(23-26)8-2-1-5-11-27-20-21-17(13-19(25)22-20)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,26H,1-2,5,8,11H2,(H,23,24)(H,21,22,25) | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50581294
(CHEMBL5076638)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)NC1CCNCC1 | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant HDAC6 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50506779
(CHEMBL4521590)Show InChI InChI=1S/C18H15N3O3/c22-17(20-14-8-9-16(19-11-14)18(23)21-24)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,24H,10H2,(H,20,22)(H,21,23) | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
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 |
TBA
| Assay Description Inhibition of human recombinant HDAC6 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50506781
(CHEMBL4435005)Show InChI InChI=1S/C14H13N3O3/c18-13(8-10-4-2-1-3-5-10)16-11-6-7-12(15-9-11)14(19)17-20/h1-7,9,20H,8H2,(H,16,18)(H,17,19) | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50581290
(CHEMBL5093179)Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human HDAC using human HeLa cell nuclear extract measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50581290
(CHEMBL5093179)Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant HDAC1 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50581290
(CHEMBL5093179)Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant HDAC3 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50581290
(CHEMBL5093179)Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 | 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 | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant HDAC2 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | |
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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant HDAC3 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50506775
(CHEMBL4593437)Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H23N3O3S/c26-20(25-28)9-5-2-6-14-29-22-23-19(15-21(27)24-22)18-12-10-17(11-13-18)16-7-3-1-4-8-16/h1,3-4,7-8,10-13,15,28H,2,5-6,9,14H2,(H,25,26)(H,23,24,27) | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50506780
(CHEMBL4550522)Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C20H17N3O3/c24-19(23-26)11-10-16-8-9-17(13-21-16)22-20(25)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13,26H,12H2,(H,22,25)(H,23,24)/b11-10+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50581294
(CHEMBL5076638)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)NC1CCNCC1 | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant HDAC3 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50448484
(CHEMBL3126646)Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza Universit£ di Roma
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet |
J Med Chem 57: 701-13 (2014)
Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q |
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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant HDAC1 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50581294
(CHEMBL5076638)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)NC1CCNCC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human HDAC using human HeLa cell nuclear extract measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50581294
(CHEMBL5076638)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)NC1CCNCC1 | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant HDAC1 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50581291
(CHEMBL5090521)Show SMILES CCN(CC)CCCNC(=O)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human HDAC using human HeLa cell nuclear extract measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(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
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human HDAC using human HeLa cell nuclear extract measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50506781
(CHEMBL4435005)Show InChI InChI=1S/C14H13N3O3/c18-13(8-10-4-2-1-3-5-10)16-11-6-7-12(15-9-11)14(19)17-20/h1-7,9,20H,8H2,(H,16,18)(H,17,19) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50581292
(CHEMBL5078298) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human HDAC using human HeLa cell nuclear extract measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | 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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50581293
(CHEMBL5078990)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)NCCN1CCOCC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human HDAC using human HeLa cell nuclear extract measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
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 | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant HDAC2 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50581294
(CHEMBL5076638)Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)NC1CCNCC1 | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant HDAC2 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00821 BindingDB Entry DOI: 10.7270/Q2RV0SK6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50446481
(CHEMBL3110004 | US10011611, TMP269 | US10722597, C...)Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50506779
(CHEMBL4521590)Show InChI InChI=1S/C18H15N3O3/c22-17(20-14-8-9-16(19-11-14)18(23)21-24)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,24H,10H2,(H,20,22)(H,21,23) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50448487
(CHEMBL2385821)Show SMILES Cc1cc(Nc2cccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)c2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-20-5-4-6-21(16-20)33-26(35)18-9-11-19(12-10-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza Universit£ di Roma
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet |
J Med Chem 57: 701-13 (2014)
Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50075103
(CHEBI:48202 | Nanafrocin)Show SMILES C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |c:9| Show InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Pierre Fabre
Curated by ChEMBL
| Assay Description Inhibition of His6-tagged human recombinant DNMT3b expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-bio... |
J Med Chem 58: 2569-83 (2015)
Article DOI: 10.1021/jm500843d BindingDB Entry DOI: 10.7270/Q24T6M36 |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50070942
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Pierre Fabre
Curated by ChEMBL
| Assay Description Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot... |
J Med Chem 58: 2569-83 (2015)
Article DOI: 10.1021/jm500843d BindingDB Entry DOI: 10.7270/Q24T6M36 |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50448489
(CHEMBL3126651)Show SMILES O=C(Nc1ccc(Nc2ccnc3ccccc23)cc1)c1ccc(Nc2ccnc3ccccc23)cc1 Show InChI InChI=1S/C31H23N5O/c37-31(21-9-11-22(12-10-21)34-29-17-19-32-27-7-3-1-5-25(27)29)36-24-15-13-23(14-16-24)35-30-18-20-33-28-8-4-2-6-26(28)30/h1-20H,(H,32,34)(H,33,35)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza Universit£ di Roma
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet |
J Med Chem 57: 701-13 (2014)
Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50430056
(CHEMBL2336409 | SGI-1027)Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza Universit£ di Roma
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet |
J Med Chem 57: 701-13 (2014)
Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50506778
(CHEMBL4469596)Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H21N3O3S/c24-18(23-26)8-2-1-5-11-27-20-21-17(13-19(25)22-20)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,26H,1-2,5,8,11H2,(H,23,24)(H,21,22,25) | 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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM24774
(2,3-dichloro-1,4-dihydronaphthalene-1,4-dione | 2,...)Show InChI InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Pierre Fabre
Curated by ChEMBL
| Assay Description Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot... |
J Med Chem 58: 2569-83 (2015)
Article DOI: 10.1021/jm500843d BindingDB Entry DOI: 10.7270/Q24T6M36 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50506777
(CHEMBL4476057)Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N3O3S/c23-17(22-25)7-3-4-10-26-19-20-16(12-18(24)21-19)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11-12,25H,3-4,7,10H2,(H,22,23)(H,20,21,24) | 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 | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50448488
(CHEMBL3126652)Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4cc(C)nc(N)n4)cc3)cc2)nc(N)n1 Show InChI InChI=1S/C23H23N9O/c1-13-11-19(31-22(24)26-13)28-16-5-3-15(4-6-16)21(33)30-18-9-7-17(8-10-18)29-20-12-14(2)27-23(25)32-20/h3-12H,1-2H3,(H,30,33)(H3,24,26,28,31)(H3,25,27,29,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza Universit£ di Roma
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet |
J Med Chem 57: 701-13 (2014)
Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50506780
(CHEMBL4550522)Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C20H17N3O3/c24-19(23-26)11-10-16-8-9-17(13-21-16)22-20(25)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13,26H,12H2,(H,22,25)(H,23,24)/b11-10+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3A
(Homo sapiens (Human)) | BDBM50448484
(CHEMBL3126646)Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Pierre Fabre
Curated by ChEMBL
| Assay Description Inhibition of His6-tagged human recombinant DNMT3a expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-bio... |
J Med Chem 58: 2569-83 (2015)
Article DOI: 10.1021/jm500843d BindingDB Entry DOI: 10.7270/Q24T6M36 |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3-like
(Homo sapiens (Human)) | BDBM50448484
(CHEMBL3126646)Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza Universit£ di Roma
Curated by ChEMBL
| Assay Description Inhibition of human DNMT3A2/3L using unmethylated DNA as substrate in presence of [methyl-3H]-AdoMet |
J Med Chem 57: 701-13 (2014)
Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lille
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay |
Eur J Med Chem 161: 277-291 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76 |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50075193
(CHEMBL3414630)Show SMILES CCN(CC)CCNC(=O)c1ccc(NCCCCCCCCCCCCN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C33H48N4O3/c1-3-36(4-2)26-24-35-31(38)27-19-21-28(22-20-27)34-23-15-11-9-7-5-6-8-10-12-16-25-37-32(39)29-17-13-14-18-30(29)33(37)40/h13-14,17-22,34H,3-12,15-16,23-26H2,1-2H3,(H,35,38) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Pierre Fabre
Curated by ChEMBL
| Assay Description Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot... |
J Med Chem 58: 2569-83 (2015)
Article DOI: 10.1021/jm500843d BindingDB Entry DOI: 10.7270/Q24T6M36 |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50448485
(CHEMBL3126645)Show SMILES Cc1cc(Nc2ccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)cc2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)32-19-9-11-20(12-10-19)33-26(35)18-5-4-6-21(16-18)31-24-13-14-29-23-8-3-2-7-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza Universit£ di Roma
Curated by ChEMBL
| Assay Description Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet |
J Med Chem 57: 701-13 (2014)
Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q |
More data for this Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50430056
(CHEMBL2336409 | SGI-1027)Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Pierre Fabre
Curated by ChEMBL
| Assay Description Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot... |
J Med Chem 58: 2569-83 (2015)
Article DOI: 10.1021/jm500843d BindingDB Entry DOI: 10.7270/Q24T6M36 |
More data for this Ligand-Target Pair | |