Found 236 hits with Last Name = 'zunino' and Initial = 'f' 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 UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
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DrugBank PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
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 
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DrugBank PC cid PC sid PDB UniChem
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50354086
 (FK-228 | Istodax | ROMIDEPSIN)Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| PC cid PC sid UniChem
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27566
 (4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) | PDB MMDB
UniProtKB/SwissProt
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Patents
| PDB Article PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay |
Bioorg Med Chem 22: 1089-103 (2014)
Article DOI: 10.1016/j.bmc.2013.12.031 BindingDB Entry DOI: 10.7270/Q2JS9RX4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
 (2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
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Patents
| PDB Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay |
Bioorg Med Chem 22: 1089-103 (2014)
Article DOI: 10.1016/j.bmc.2013.12.031 BindingDB Entry DOI: 10.7270/Q2JS9RX4 |
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 
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DrugBank PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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DrugBank 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£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC3 complexed with NCOR2 using fluorogenic tetrapeptide RHKKAc as susbtrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
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 
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DrugBank PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC4 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
More data for this Ligand-Target Pair | |
Histone deacetylase 11
(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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet 
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| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC11 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(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 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
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DrugBank PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC5 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
More data for this Ligand-Target Pair | |
Histone Deacetylase 10 (HDAC10)
(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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
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DrugBank PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC10 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
More data for this Ligand-Target Pair | |
Histone deacetylase 7
(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 
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DrugBank PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC7 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
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 UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
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 UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
| PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate ... |
Eur J Med Chem 112: 99-105 (2016)
BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50316226
 ((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
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CHEMBL PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay |
Bioorg Med Chem 22: 1089-103 (2014)
Article DOI: 10.1016/j.bmc.2013.12.031 BindingDB Entry DOI: 10.7270/Q2JS9RX4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Histone deacetylase 7
(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 
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
| PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubate... |
Eur J Med Chem 112: 99-105 (2016)
BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair |  3D Structure (docked) |
Histone deacetylase 7
(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 
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC7 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
More data for this Ligand-Target Pair |  3D Structure (docked) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50293361
 (CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
More data for this Ligand-Target Pair | |
Histone deacetylase 9
(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 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
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DrugBank PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC9 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50354086
 (FK-228 | Istodax | ROMIDEPSIN)Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| PC cid PC sid UniChem
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50293358
 (CHEMBL556332 | N-Hydroxy-E-3-(4'-hydroxybiphenyl-4...)Show InChI InChI=1S/C15H13NO3/c17-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)16-19/h1-10,17,19H,(H,16,18)/b10-3+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC6 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50212747
 ((E)-1-(4-((5,6-dimethoxy-2-oxoindolin-3-ylidene)me...)Show SMILES COc1cc2NC(=O)\C(=C\c3ccc(NC(=O)Nc4ccc(O)cc4)cc3)c2cc1OC Show InChI InChI=1S/C24H21N3O5/c1-31-21-12-18-19(23(29)27-20(18)13-22(21)32-2)11-14-3-5-15(6-4-14)25-24(30)26-16-7-9-17(28)10-8-16/h3-13,28H,1-2H3,(H,27,29)(H2,25,26,30)/b19-11+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Milano
Curated by ChEMBL
| Assay Description Inhibition of RET in mouse NIH3T3MEN2A cells |
Bioorg Med Chem Lett 17: 3962-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.091 BindingDB Entry DOI: 10.7270/Q2HH6JSN |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50246572
 (4-(4-hydroxyphenyl)-2,3-bis(2-methoxyethylidene)-1...)Show SMILES COc1cc2n(C)c3c(c(c[nH]c3=O)-c3ccc(O)cc3)c2cc1OC Show InChI InChI=1S/C20H18N2O4/c1-22-15-9-17(26-3)16(25-2)8-13(15)18-14(10-21-20(24)19(18)22)11-4-6-12(23)7-5-11/h4-10,23H,1-3H3,(H,21,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Milano
Curated by ChEMBL
| Assay Description Inhibition of recombinant RET active protein (unknown origin) by immunoblotting |
J Med Chem 51: 7777-87 (2008)
Article DOI: 10.1021/jm8007823 BindingDB Entry DOI: 10.7270/Q2DN44X5 |
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 UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| Purchase
DrugBank PC cid PC sid PDB UniChem
| PDB PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50293361
 (CHEMBL561209 | N-Hydroxy-E-3-(4'-methoxybiphenyl-4...)Show InChI InChI=1S/C16H15NO3/c1-20-15-9-7-14(8-10-15)13-5-2-12(3-6-13)4-11-16(18)17-19/h2-11,19H,1H3,(H,17,18)/b11-4+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
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 UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) |
Bioorg Med Chem Lett 25: 4457-60 (2015)
BindingDB Entry DOI: 10.7270/Q2BG2QTR |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50445952
 (CHEMBL3105886)Show InChI InChI=1S/C20H22N4O/c21-20(25)24-13-10-17-8-9-18(22-19(17)24)16-6-4-15(5-7-16)14-23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H2,21,25) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay |
Bioorg Med Chem 22: 1089-103 (2014)
Article DOI: 10.1016/j.bmc.2013.12.031 BindingDB Entry DOI: 10.7270/Q2JS9RX4 |
More data for this Ligand-Target Pair | |
Platelet activating factor receptor
(Cavia porcellus) | BDBM50369083
 (CHEMBL1907928)Show SMILES CCCCCCCCCCCC(=O)CCCCCCOC[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)OC |r| Show InChI InChI=1S/C27H56NO7P/c1-6-7-8-9-10-11-12-13-16-19-26(29)20-17-14-15-18-22-33-24-27(32-5)25-35-36(30,31)34-23-21-28(2,3)4/h27H,6-25H2,1-5H3/t27-/m0/s1 | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | 37 |
Laboratorios Menarini SA
Curated by ChEMBL
| Assay Description PAF agonism was measured as the IC50 for aggregation of washed rabbit platelets after incubation for 30 min at 37 C. |
J Med Chem 38: 1216-28 (1995)
BindingDB Entry DOI: 10.7270/Q2862H3G |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50246605
 (4-(3-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyri...)Show SMILES COc1cc2n(C)c3c(c(c[nH]c3=O)-c3cccc(O)c3)c2cc1OC Show InChI InChI=1S/C20H18N2O4/c1-22-15-9-17(26-3)16(25-2)8-13(15)18-14(10-21-20(24)19(18)22)11-5-4-6-12(23)7-11/h4-10,23H,1-3H3,(H,21,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Milano
Curated by ChEMBL
| Assay Description Inhibition of recombinant RET active protein (unknown origin) by immunoblotting |
J Med Chem 51: 7777-87 (2008)
Article DOI: 10.1021/jm8007823 BindingDB Entry DOI: 10.7270/Q2DN44X5 |
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 PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
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 MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cells using KI-104 as substrate after 40 mins by fluorescence analysis |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
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 MMDB PC cid PC sid PDB UniChem
Patents
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC2 using Fluor de Lys Green as substrate incubated for 30 mins by fluorescence assay |
Eur J Med Chem 112: 99-105 (2016)
BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
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 MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cells |
Eur J Med Chem 44: 1900-12 (2009)
Article DOI: 10.1016/j.ejmech.2008.11.005 BindingDB Entry DOI: 10.7270/Q2M045G2 |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50246571
 (4-(4-hydroxyphenyl)-6,7-dimethoxy-2H-pyrido[3,4-b]...)Show SMILES COc1cc2[nH]c3c(c(c[nH]c3=O)-c3ccc(O)cc3)c2cc1OC Show InChI InChI=1S/C19H16N2O4/c1-24-15-7-12-14(8-16(15)25-2)21-18-17(12)13(9-20-19(18)23)10-3-5-11(22)6-4-10/h3-9,21-22H,1-2H3,(H,20,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Milano
Curated by ChEMBL
| Assay Description Inhibition of recombinant RET active protein (unknown origin) by immunoblotting |
J Med Chem 51: 7777-87 (2008)
Article DOI: 10.1021/jm8007823 BindingDB Entry DOI: 10.7270/Q2DN44X5 |
More data for this Ligand-Target Pair | |
Platelet activating factor receptor
(Cavia porcellus) | BDBM50034216
 ((R)2-methoxy-3-(7-oxooctadecyloxy)propyl-2-trimeth...)Show SMILES CCCCCCCCCCCC(=O)CCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC Show InChI InChI=1S/C27H56NO7P/c1-6-7-8-9-10-11-12-13-16-19-26(29)20-17-14-15-18-22-33-24-27(32-5)25-35-36(30,31)34-23-21-28(2,3)4/h27H,6-25H2,1-5H3 | MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | 37 |
Laboratorios Menarini SA
Curated by ChEMBL
| Assay Description PAF agonism was measured as the IC50 for aggregation of washed rabbit platelets after incubation for 30 min at 37 C. |
J Med Chem 38: 1216-28 (1995)
BindingDB Entry DOI: 10.7270/Q2862H3G |
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 MMDB PC cid PC sid PDB UniChem
Patents
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 25: 4457-60 (2015)
BindingDB Entry DOI: 10.7270/Q2BG2QTR |
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 MMDB PC cid PC sid PDB UniChem
Patents
| PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human HDAC2 after 40 mins by fluorescence analysis |
Bioorg Med Chem Lett 25: 4457-60 (2015)
BindingDB Entry DOI: 10.7270/Q2BG2QTR |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50293358
 (CHEMBL556332 | N-Hydroxy-E-3-(4'-hydroxybiphenyl-4...)Show InChI InChI=1S/C15H13NO3/c17-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)16-19/h1-10,17,19H,(H,16,18)/b10-3+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
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 PC cid PC sid PDB UniChem
| PDB PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50212748
 (3-(4-hydroxybenzylidene)-5,6-dimethoxyindolin-2-on...)Show InChI InChI=1S/C17H15NO4/c1-21-15-8-12-13(7-10-3-5-11(19)6-4-10)17(20)18-14(12)9-16(15)22-2/h3-9,19H,1-2H3,(H,18,20)/b13-7+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Milano
Curated by ChEMBL
| Assay Description Inhibition of RET in mouse NIH3T3MEN2A cells |
Bioorg Med Chem Lett 17: 3962-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.091 BindingDB Entry DOI: 10.7270/Q2HH6JSN |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50212745
 ((E)-1-(4-((5,6-dimethoxy-2-oxoindolin-3-ylidene)me...)Show SMILES COc1cc2NC(=O)\C(=C\c3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC Show InChI InChI=1S/C24H21N3O4/c1-30-21-13-18-19(23(28)27-20(18)14-22(21)31-2)12-15-8-10-17(11-9-15)26-24(29)25-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,27,28)(H2,25,26,29)/b19-12+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Milano
Curated by ChEMBL
| Assay Description Inhibition of RET in mouse NIH3T3MEN2A cells |
Bioorg Med Chem Lett 17: 3962-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.091 BindingDB Entry DOI: 10.7270/Q2HH6JSN |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50293352
 (CHEMBL551486 | N-Hydroxy-E-3-[4'-hydroxymethylbiph...)Show InChI InChI=1S/C16H15NO3/c18-11-13-3-8-15(9-4-13)14-6-1-12(2-7-14)5-10-16(19)17-20/h1-10,18,20H,11H2,(H,17,19)/b10-5+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cells |
Eur J Med Chem 44: 1900-12 (2009)
Article DOI: 10.1016/j.ejmech.2008.11.005 BindingDB Entry DOI: 10.7270/Q2M045G2 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50445970
 (CHEMBL3105890)Show InChI InChI=1S/C12H14N4O/c13-12(17)16-8-5-9-3-4-10(14-11(9)16)15-6-1-2-7-15/h3-5,8H,1-2,6-7H2,(H2,13,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay |
Bioorg Med Chem 22: 1089-103 (2014)
Article DOI: 10.1016/j.bmc.2013.12.031 BindingDB Entry DOI: 10.7270/Q2JS9RX4 |
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 MMDB PC cid PC sid PDB UniChem
Patents
| MMDB PDB Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
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 MMDB PC cid PC sid PDB UniChem
Patents
| MMDB PDB PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrate incubated ... |
Eur J Med Chem 112: 99-105 (2016)
BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50246604
 (6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]in...)Show SMILES COc1cc2n(C)c3c(c(c[nH]c3=O)-c3ccccc3)c2cc1OC Show InChI InChI=1S/C20H18N2O3/c1-22-15-10-17(25-3)16(24-2)9-13(15)18-14(11-21-20(23)19(18)22)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Milano
Curated by ChEMBL
| Assay Description Inhibition of recombinant RET active protein (unknown origin) by immunoblotting |
J Med Chem 51: 7777-87 (2008)
Article DOI: 10.1021/jm8007823 BindingDB Entry DOI: 10.7270/Q2DN44X5 |
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 MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
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 MMDB PC cid PC sid PDB UniChem
Patents
| PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Milan
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in sf21 cells using RHK-K(Ac)-AMC as subst... |
Eur J Med Chem 112: 99-105 (2016)
BindingDB Entry DOI: 10.7270/Q2HM5BB0 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50445969
 (CHEMBL3105876)Show InChI InChI=1S/C14H11N3O/c15-14(18)17-9-8-11-6-7-12(16-13(11)17)10-4-2-1-3-5-10/h1-9H,(H2,15,18) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay |
Bioorg Med Chem 22: 1089-103 (2014)
Article DOI: 10.1016/j.bmc.2013.12.031 BindingDB Entry DOI: 10.7270/Q2JS9RX4 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50445968
 (CHEMBL3105879)Show InChI InChI=1S/C14H10FN3O/c15-11-4-1-9(2-5-11)12-6-3-10-7-8-18(14(16)19)13(10)17-12/h1-8H,(H2,16,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay |
Bioorg Med Chem 22: 1089-103 (2014)
Article DOI: 10.1016/j.bmc.2013.12.031 BindingDB Entry DOI: 10.7270/Q2JS9RX4 |
More data for this Ligand-Target Pair | |