Found 59 hits with Last Name = 'ionta' 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 |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292422
(CHEMBL4175724)Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)C1 Show InChI InChI=1S/C20H22N4O4/c25-19-2-1-11-23(14-19)13-16-3-7-17(8-4-16)20(26)22-21-12-15-5-9-18(10-6-15)24(27)28/h3-10,12,19,25H,1-2,11,13-14H2,(H,22,26)/b21-12+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b... |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292419
(CHEMBL4163724)Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(Cl)cc2)C1 Show InChI InChI=1S/C20H22ClN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 7.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b... |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292536
(CHEMBL4170841)Show SMILES CSc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O2S/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 8.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292510
(CHEMBL4172314)Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)N2CCCCC2)C1 Show InChI InChI=1S/C25H32N4O2/c30-24-5-4-14-28(19-24)18-21-6-10-22(11-7-21)25(31)27-26-17-20-8-12-23(13-9-20)29-15-2-1-3-16-29/h6-13,17,24,30H,1-5,14-16,18-19H2,(H,27,31)/b26-17+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Affinity of compound to Sigma opioid receptor labelled with [3H](+)-3-PPP |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292423
(CHEMBL4167867)Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b... |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292442
(CHEMBL4171226)Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(F)cc2)C1 Show InChI InChI=1S/C20H22FN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b... |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292526
(CHEMBL4164436)Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)-n2ccnc2)C1 Show InChI InChI=1S/C23H25N5O2/c29-22-2-1-12-27(16-22)15-19-3-7-20(8-4-19)23(30)26-25-14-18-5-9-21(10-6-18)28-13-11-24-17-28/h3-11,13-14,17,22,29H,1-2,12,15-16H2,(H,26,30)/b25-14+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Non-competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition b... |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8960
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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 | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50146076
(CHEMBL3764525)Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+ | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Rattus norvegicus) | BDBM50146077
(CHEMBL3763388)Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C\c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N4O3/c1-21(2)16-10-8-15(9-11-16)18(24)22(3)19-12-13-4-6-14(7-5-13)17(23)20-25/h4-12,25H,1-3H3,(H,20,23)/b19-12+ | UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of HDAC in rat liver by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Rattus norvegicus) | BDBM50146076
(CHEMBL3764525)Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+ | UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of HDAC in rat liver by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM8960
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 | UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho... |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50146077
(CHEMBL3763388)Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C\c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N4O3/c1-21(2)16-10-8-15(9-11-16)18(24)22(3)19-12-13-4-6-14(7-5-13)17(23)20-25/h4-12,25H,1-3H3,(H,20,23)/b19-12+ | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(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 | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50146080
(CHEMBL3763386)Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C(/C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C19H22N4O3/c1-13(14-5-7-15(8-6-14)18(24)21-26)20-23(4)19(25)16-9-11-17(12-10-16)22(2)3/h5-12,26H,1-4H3,(H,21,24)/b20-13+ | 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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC8 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50146079
(CHEMBL3764728)Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C(/C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N4O3/c1-12(13-4-6-15(7-5-13)18(24)21-25)19-20-17(23)14-8-10-16(11-9-14)22(2)3/h4-11,25H,1-3H3,(H,20,23)(H,21,24)/b19-12+ | 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 | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50146080
(CHEMBL3763386)Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C(/C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C19H22N4O3/c1-13(14-5-7-15(8-6-14)18(24)21-26)20-23(4)19(25)16-9-11-17(12-10-16)22(2)3/h5-12,26H,1-4H3,(H,21,24)/b20-13+ | 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 | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50146079
(CHEMBL3764728)Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C(/C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N4O3/c1-12(13-4-6-15(7-5-13)18(24)21-25)19-20-17(23)14-8-10-16(11-9-14)22(2)3/h4-11,25H,1-3H3,(H,20,23)(H,21,24)/b19-12+ | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC8 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50146077
(CHEMBL3763388)Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C\c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N4O3/c1-21(2)16-10-8-15(9-11-16)18(24)22(3)19-12-13-4-6-14(7-5-13)17(23)20-25/h4-12,25H,1-3H3,(H,20,23)/b19-12+ | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC8 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50146076
(CHEMBL3764525)Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+ | 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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC8 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(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 | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC8 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50146075
(CHEMBL3765502)Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1cccc(c1)C(=O)NO Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-8-6-13(7-9-15)16(22)19-18-11-12-4-3-5-14(10-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Rattus norvegicus) | BDBM50146075
(CHEMBL3765502)Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1cccc(c1)C(=O)NO Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-8-6-13(7-9-15)16(22)19-18-11-12-4-3-5-14(10-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+ | UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of HDAC in rat liver by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50146078
(CHEMBL3764442)Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C\c1cccc(c1)C(=O)NO Show InChI InChI=1S/C18H20N4O3/c1-21(2)16-9-7-14(8-10-16)18(24)22(3)19-12-13-5-4-6-15(11-13)17(23)20-25/h4-12,25H,1-3H3,(H,20,23)/b19-12+ | 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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC8 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50146075
(CHEMBL3765502)Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1cccc(c1)C(=O)NO Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-8-6-13(7-9-15)16(22)19-18-11-12-4-3-5-14(10-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC8 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50146078
(CHEMBL3764442)Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C\c1cccc(c1)C(=O)NO Show InChI InChI=1S/C18H20N4O3/c1-21(2)16-9-7-14(8-10-16)18(24)22(3)19-12-13-5-4-6-15(11-13)17(23)20-25/h4-12,25H,1-3H3,(H,20,23)/b19-12+ | 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 | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC6 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292422
(CHEMBL4175724)Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)C1 Show InChI InChI=1S/C20H22N4O4/c25-19-2-1-11-23(14-19)13-16-3-7-17(8-4-16)20(26)22-21-12-15-5-9-18(10-6-15)24(27)28/h3-10,12,19,25H,1-2,11,13-14H2,(H,22,26)/b21-12+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho... |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50146076
(CHEMBL3764525)Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+ | 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 | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50146079
(CHEMBL3764728)Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C(/C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N4O3/c1-12(13-4-6-15(7-5-13)18(24)21-25)19-20-17(23)14-8-10-16(11-9-14)22(2)3/h4-11,25H,1-3H3,(H,20,23)(H,21,24)/b19-12+ | 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 | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50146080
(CHEMBL3763386)Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C(/C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C19H22N4O3/c1-13(14-5-7-15(8-6-14)18(24)21-26)20-23(4)19(25)16-9-11-17(12-10-16)22(2)3/h5-12,26H,1-4H3,(H,21,24)/b20-13+ | 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 | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50146076
(CHEMBL3764525)Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-9-7-13(8-10-15)16(22)19-18-11-12-3-5-14(6-4-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+ | 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 | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50146077
(CHEMBL3763388)Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C\c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N4O3/c1-21(2)16-10-8-15(9-11-16)18(24)22(3)19-12-13-4-6-14(7-5-13)17(23)20-25/h4-12,25H,1-3H3,(H,20,23)/b19-12+ | 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 | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50146080
(CHEMBL3763386)Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C(/C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C19H22N4O3/c1-13(14-5-7-15(8-6-14)18(24)21-26)20-23(4)19(25)16-9-11-17(12-10-16)22(2)3/h5-12,26H,1-4H3,(H,21,24)/b20-13+ | 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 | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50146077
(CHEMBL3763388)Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C\c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N4O3/c1-21(2)16-10-8-15(9-11-16)18(24)22(3)19-12-13-4-6-14(7-5-13)17(23)20-25/h4-12,25H,1-3H3,(H,20,23)/b19-12+ | 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 | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50146079
(CHEMBL3764728)Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C(/C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N4O3/c1-12(13-4-6-15(7-5-13)18(24)21-25)19-20-17(23)14-8-10-16(11-9-14)22(2)3/h4-11,25H,1-3H3,(H,20,23)(H,21,24)/b19-12+ | 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 | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM8960
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Binding affinity of [3H]spiroperidol to striatal Dopamine receptor D2 binding sites |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292442
(CHEMBL4171226)Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(F)cc2)C1 Show InChI InChI=1S/C20H22FN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Inhibition activity against AICAR formyltransferase determined against L cell |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50146078
(CHEMBL3764442)Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C\c1cccc(c1)C(=O)NO Show InChI InChI=1S/C18H20N4O3/c1-21(2)16-9-7-14(8-10-16)18(24)22(3)19-12-13-5-4-6-15(11-13)17(23)20-25/h4-12,25H,1-3H3,(H,20,23)/b19-12+ | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50146075
(CHEMBL3765502)Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1cccc(c1)C(=O)NO Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-8-6-13(7-9-15)16(22)19-18-11-12-4-3-5-14(10-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50146078
(CHEMBL3764442)Show SMILES CN(C)c1ccc(cc1)C(=O)N(C)\N=C\c1cccc(c1)C(=O)NO Show InChI InChI=1S/C18H20N4O3/c1-21(2)16-9-7-14(8-10-16)18(24)22(3)19-12-13-5-4-6-15(11-13)17(23)20-25/h4-12,25H,1-3H3,(H,20,23)/b19-12+ | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50146075
(CHEMBL3765502)Show SMILES CN(C)c1ccc(cc1)C(=O)N\N=C\c1cccc(c1)C(=O)NO Show InChI InChI=1S/C17H18N4O3/c1-21(2)15-8-6-13(7-9-15)16(22)19-18-11-12-4-3-5-14(10-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC1 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292536
(CHEMBL4170841)Show SMILES CSc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O2S/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho... |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292510
(CHEMBL4172314)Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)N2CCCCC2)C1 Show InChI InChI=1S/C25H32N4O2/c30-24-5-4-14-28(19-24)18-21-6-10-22(11-7-21)25(31)27-26-17-20-8-12-23(13-9-20)29-15-2-1-3-16-29/h6-13,17,24,30H,1-5,14-16,18-19H2,(H,27,31)/b26-17+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho... |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292539
(CHEMBL4174394)Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(Br)cc2)C1 Show InChI InChI=1S/C20H22BrN3O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14H2,(H,23,26)/b22-12+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho... |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292423
(CHEMBL4167867)Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-27-20-10-6-16(7-11-20)13-22-23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-19(25)15-24/h4-11,13,19,25H,2-3,12,14-15H2,1H3,(H,23,26)/b22-13+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho... |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292565
(CHEMBL4160612)Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)N2CCCC2)C1 Show InChI InChI=1S/C24H30N4O2/c29-23-4-3-13-27(18-23)17-20-5-9-21(10-6-20)24(30)26-25-16-19-7-11-22(12-8-19)28-14-1-2-15-28/h5-12,16,23,29H,1-4,13-15,17-18H2,(H,26,30)/b25-16+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho... |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292566
(CHEMBL4168953)Show SMILES Nc1ccc(\C=N\NC(=O)c2ccc(CN3CCCC(O)C3)cc2)cc1 Show InChI InChI=1S/C20H24N4O2/c21-18-9-5-15(6-10-18)12-22-23-20(26)17-7-3-16(4-8-17)13-24-11-1-2-19(25)14-24/h3-10,12,19,25H,1-2,11,13-14,21H2,(H,23,26)/b22-12+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho... |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50292526
(CHEMBL4164436)Show SMILES OC1CCCN(Cc2ccc(cc2)C(=O)N\N=C\c2ccc(cc2)-n2ccnc2)C1 Show InChI InChI=1S/C23H25N5O2/c29-22-2-1-12-27(16-22)15-19-3-7-20(8-4-19)23(30)26-25-14-18-5-9-21(10-6-18)28-13-11-24-17-28/h3-11,13-14,17,22,29H,1-2,12,15-16H2,(H,26,30)/b25-14+ | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Federal University of Alfenas
Curated by ChEMBL
| Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho... |
Eur J Med Chem 147: 48-65 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.066 BindingDB Entry DOI: 10.7270/Q2K64MM0 |
More data for this Ligand-Target Pair | |