Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'chuang' and Initial = 'hy'   

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))	BDBM50386657 (CHEMBL2048746) Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-7-13-6-8-16-14(12-13)10-11-19(16)24(22,23)15-4-2-1-3-5-15/h1-12,21H,(H,18,20)/b9-7+	PDB MMDB NCI pathway 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	1	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50386659 (CHEMBL2048750) Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1ccc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C19H18N2O6S/c1-26-17-7-5-15(12-18(17)27-2)28(24,25)21-10-9-14-11-13(3-6-16(14)21)4-8-19(22)20-23/h3-12,23H,1-2H3,(H,20,22)/b8-4+	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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386658 (CHEMBL2048749) Show SMILES COc1ccc(cc1)S(=O)(=O)n1ccc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C18H16N2O5S/c1-25-15-4-6-16(7-5-15)26(23,24)20-11-10-14-12-13(2-8-17(14)20)3-9-18(21)19-22/h2-12,22H,1H3,(H,19,21)/b9-3+	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50386657 (CHEMBL2048746) Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-7-13-6-8-16-14(12-13)10-11-19(16)24(22,23)15-4-2-1-3-5-15/h1-12,21H,(H,18,20)/b9-7+	PDB MMDB NCI pathway 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	4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 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	5	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 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	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386657 (CHEMBL2048746) Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-7-13-6-8-16-14(12-13)10-11-19(16)24(22,23)15-4-2-1-3-5-15/h1-12,21H,(H,18,20)/b9-7+	PDB MMDB NCI pathway 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	12.3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386659 (CHEMBL2048750) Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1ccc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C19H18N2O6S/c1-26-17-7-5-15(12-18(17)27-2)28(24,25)21-10-9-14-11-13(3-6-16(14)21)4-8-19(22)20-23/h3-12,23H,1-2H3,(H,20,22)/b8-4+	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	18.1	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386661 (CHEMBL2048752) Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O6S/c21-17(18-22)8-2-12-1-7-16-13(11-12)9-10-19(16)27(25,26)15-5-3-14(4-6-15)20(23)24/h1-11,22H,(H,18,21)/b8-2+	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	18.3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386660 (CHEMBL2048751) Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C17H13FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)20-10-9-13-11-12(1-7-16(13)20)2-8-17(21)19-22/h1-11,22H,(H,19,21)/b8-2+	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	33.2	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386662 (CHEMBL2048755) Show SMILES ONC(=O)\C=C\c1ccc2n(Cc3ccccc3)ccc2c1 Show InChI InChI=1S/C18H16N2O2/c21-18(19-22)9-7-14-6-8-17-16(12-14)10-11-20(17)13-15-4-2-1-3-5-15/h1-12,22H,13H2,(H,19,21)/b9-7+	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	40.4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386659 (CHEMBL2048750) Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1ccc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C19H18N2O6S/c1-26-17-7-5-15(12-18(17)27-2)28(24,25)21-10-9-14-11-13(3-6-16(14)21)4-8-19(22)20-23/h3-12,23H,1-2H3,(H,20,22)/b8-4+	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	45.4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386660 (CHEMBL2048751) Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C17H13FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)20-10-9-13-11-12(1-7-16(13)20)2-8-17(21)19-22/h1-11,22H,(H,19,21)/b8-2+	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	59.2	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386661 (CHEMBL2048752) Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O6S/c21-17(18-22)8-2-12-1-7-16-13(11-12)9-10-19(16)27(25,26)15-5-3-14(4-6-15)20(23)24/h1-11,22H,(H,18,21)/b8-2+	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	69.9	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386662 (CHEMBL2048755) Show SMILES ONC(=O)\C=C\c1ccc2n(Cc3ccccc3)ccc2c1 Show InChI InChI=1S/C18H16N2O2/c21-18(19-22)9-7-14-6-8-17-16(12-14)10-11-20(17)13-15-4-2-1-3-5-15/h1-12,22H,13H2,(H,19,21)/b9-7+	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	71.2	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386658 (CHEMBL2048749) Show SMILES COc1ccc(cc1)S(=O)(=O)n1ccc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C18H16N2O5S/c1-25-15-4-6-16(7-5-15)26(23,24)20-11-10-14-12-13(2-8-17(14)20)3-9-18(21)19-22/h2-12,22H,1H3,(H,19,21)/b9-3+	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	125	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50386661 (CHEMBL2048752) Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O6S/c21-17(18-22)8-2-12-1-7-16-13(11-12)9-10-19(16)27(25,26)15-5-3-14(4-6-15)20(23)24/h1-11,22H,(H,18,21)/b8-2+	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	189	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50386660 (CHEMBL2048751) Show SMILES ONC(=O)\C=C\c1ccc2n(ccc2c1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C17H13FN2O4S/c18-14-3-5-15(6-4-14)25(23,24)20-10-9-13-11-12(1-7-16(13)20)2-8-17(21)19-22/h1-11,22H,(H,19,21)/b8-2+	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	199	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50109348 (CHEMBL3600757) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccc(C#N)c(F)c1 Show InChI InChI=1S/C20H15FN2O3S/c1-26-16-8-10-17(11-9-16)27(24,25)23-20-5-3-2-4-18(20)14-6-7-15(13-22)19(21)12-14/h2-12,23H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of STAT3 tyrosine phosphorylation in human A549 cells by sandwich ELISA method				J Med Chem 58: 6549-58 (2015) Article DOI: 10.1021/acs.jmedchem.5b00659 BindingDB Entry DOI: 10.7270/Q2S1849T
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50109349 (CHEMBL3600853) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C(C)=O)c1ccccc1-c1ccc(cc1)C#N Show InChI InChI=1S/C22H18N2O4S/c1-16(25)24(29(26,27)20-13-11-19(28-2)12-14-20)22-6-4-3-5-21(22)18-9-7-17(15-23)8-10-18/h3-14H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of STAT3 tyrosine phosphorylation in human A549 cells by sandwich ELISA method				J Med Chem 58: 6549-58 (2015) Article DOI: 10.1021/acs.jmedchem.5b00659 BindingDB Entry DOI: 10.7270/Q2S1849T
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50386658 (CHEMBL2048749) Show SMILES COc1ccc(cc1)S(=O)(=O)n1ccc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C18H16N2O5S/c1-25-15-4-6-16(7-5-15)26(23,24)20-11-10-14-12-13(2-8-17(14)20)3-9-18(21)19-22/h2-12,22H,1H3,(H,19,21)/b9-3+	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	362	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50386662 (CHEMBL2048755) Show SMILES ONC(=O)\C=C\c1ccc2n(Cc3ccccc3)ccc2c1 Show InChI InChI=1S/C18H16N2O2/c21-18(19-22)9-7-14-6-8-17-16(12-14)10-11-20(17)13-15-4-2-1-3-5-15/h1-12,22H,13H2,(H,19,21)/b9-7+	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	381	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 after 30 mins by fluorometric assay				J Med Chem 55: 3777-91 (2012) Article DOI: 10.1021/jm300197a BindingDB Entry DOI: 10.7270/Q2CR5VD7
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50109346 (CHEMBL3600746) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccc(cc1)C#N Show InChI InChI=1S/C20H16N2O3S/c1-25-17-10-12-18(13-11-17)26(23,24)22-20-5-3-2-4-19(20)16-8-6-15(14-21)7-9-16/h2-13,22H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of STAT3 tyrosine phosphorylation in human A549 cells by sandwich ELISA method				J Med Chem 58: 6549-58 (2015) Article DOI: 10.1021/acs.jmedchem.5b00659 BindingDB Entry DOI: 10.7270/Q2S1849T
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full-length C-terminal FLAG-His tagged HDAC1 (1 to 482 residues) expressed in Sf21 insect cells using RHK-K(Ac)-AMC a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in baculovirus infected insect cells using RHKKAc-AMC as su...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC3/NCOR2 using RHKKAc-AMC as substrate measured after 60 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50551593 (CHEMBL4749443) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1NCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI	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	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full-length C-terminal FLAG-His tagged HDAC1 (1 to 482 residues) expressed in Sf21 insect cells using RHK-K(Ac)-AMC a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50551596 (CHEMBL4788251) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1CCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI	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	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full-length C-terminal FLAG-His tagged HDAC1 (1 to 482 residues) expressed in Sf21 insect cells using RHK-K(Ac)-AMC a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50551593 (CHEMBL4749443) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1NCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI	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	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in baculovirus infected insect cells using RHKKAc-AMC as su...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50551595 (CHEMBL4757836) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1CCc1ccc(cc1)C(=O)Nc1cc(F)ccc1N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC3/NCOR2 using RHKKAc-AMC as substrate measured after 60 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50014846 ((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...) Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization after 30 mins				Bioorg Med Chem 23: 4230-6 (2015) Article DOI: 10.1016/j.bmc.2015.06.043 BindingDB Entry DOI: 10.7270/Q2571DS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization measured every 30 sec for 30 mins by spectrophotometry				Eur J Med Chem 77: 306-14 (2014) Article DOI: 10.1016/j.ejmech.2014.02.061 BindingDB Entry DOI: 10.7270/Q2TQ64JD
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50551593 (CHEMBL4749443) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1NCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC3/NCOR2 using RHKKAc-AMC as substrate measured after 60 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50551596 (CHEMBL4788251) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1CCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC3/NCOR2 using RHKKAc-AMC as substrate measured after 60 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50109347 (CHEMBL3600755) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccc(F)c(F)c1 Show InChI InChI=1S/C19H15F2NO3S/c1-25-14-7-9-15(10-8-14)26(23,24)22-19-5-3-2-4-16(19)13-6-11-17(20)18(21)12-13/h2-12,22H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of STAT3 tyrosine phosphorylation in human A549 cells by sandwich ELISA method				J Med Chem 58: 6549-58 (2015) Article DOI: 10.1021/acs.jmedchem.5b00659 BindingDB Entry DOI: 10.7270/Q2S1849T
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50496931 (CHEMBL3234199) Show SMILES COc1ccc(cc1N)C(=O)c1cc(OC)c(OC)c(OC)c1O Show InChI InChI=1S/C17H19NO6/c1-21-12-6-5-9(7-11(12)18)14(19)10-8-13(22-2)16(23-3)17(24-4)15(10)20/h5-8,20H,18H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization measured every 30 sec for 30 mins by spectrophotometry				Eur J Med Chem 77: 306-14 (2014) Article DOI: 10.1016/j.ejmech.2014.02.061 BindingDB Entry DOI: 10.7270/Q2TQ64JD
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50109345 (CHEMBL3600744) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccc(F)cc1 Show InChI InChI=1S/C19H16FNO3S/c1-24-16-10-12-17(13-11-16)25(22,23)21-19-5-3-2-4-18(19)14-6-8-15(20)9-7-14/h2-13,21H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of STAT3 tyrosine phosphorylation in human A549 cells by sandwich ELISA method				J Med Chem 58: 6549-58 (2015) Article DOI: 10.1021/acs.jmedchem.5b00659 BindingDB Entry DOI: 10.7270/Q2S1849T
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50496930 (CHEMBL3234197) Show SMILES COc1ccc(cc1O)C(=O)c1cc(OC)c(OC)c(OC)c1O Show InChI InChI=1S/C17H18O7/c1-21-12-6-5-9(7-11(12)18)14(19)10-8-13(22-2)16(23-3)17(24-4)15(10)20/h5-8,18,20H,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization measured every 30 sec for 30 mins by spectrophotometry				Eur J Med Chem 77: 306-14 (2014) Article DOI: 10.1016/j.ejmech.2014.02.061 BindingDB Entry DOI: 10.7270/Q2TQ64JD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50098801 (CHEMBL3593873) Show SMILES COc1ccc2c(c[nH]c2c1)C(=O)c1cc(OC)c(OC)c(OC)c1O Show InChI InChI=1S/C19H19NO6/c1-23-10-5-6-11-13(9-20-14(11)7-10)16(21)12-8-15(24-2)18(25-3)19(26-4)17(12)22/h5-9,20,22H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization after 30 mins				Bioorg Med Chem 23: 4230-6 (2015) Article DOI: 10.1016/j.bmc.2015.06.043 BindingDB Entry DOI: 10.7270/Q2571DS7
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50014846 ((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...) Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization measured every 30 sec for 30 mins by spectrophotometry				Eur J Med Chem 77: 306-14 (2014) Article DOI: 10.1016/j.ejmech.2014.02.061 BindingDB Entry DOI: 10.7270/Q2TQ64JD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization after 30 mins				Bioorg Med Chem 23: 4230-6 (2015) Article DOI: 10.1016/j.bmc.2015.06.043 BindingDB Entry DOI: 10.7270/Q2571DS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50098800 (CHEMBL3593872) Show SMILES COc1cc(C(=O)c2ccc3n(C)ccc3c2)c(O)c(OC)c1OC Show InChI InChI=1S/C19H19NO5/c1-20-8-7-11-9-12(5-6-14(11)20)16(21)13-10-15(23-2)18(24-3)19(25-4)17(13)22/h5-10,22H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization after 30 mins				Bioorg Med Chem 23: 4230-6 (2015) Article DOI: 10.1016/j.bmc.2015.06.043 BindingDB Entry DOI: 10.7270/Q2571DS7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50551594 (CHEMBL4777009) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1OCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI	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	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in baculovirus infected insect cells using RHKKAc-AMC as su...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50551594 (CHEMBL4777009) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1OCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full-length C-terminal FLAG-His tagged HDAC1 (1 to 482 residues) expressed in Sf21 insect cells using RHK-K(Ac)-AMC a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50551594 (CHEMBL4777009) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1OCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC3/NCOR2 using RHKKAc-AMC as substrate measured after 60 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain (Bos taurus)	BDBM50098799 (CHEMBL3593871) Show SMILES COc1cc(C(=O)c2cccc3n(C)ccc23)c(O)c(OC)c1OC Show InChI InChI=1S/C19H19NO5/c1-20-9-8-11-12(6-5-7-14(11)20)16(21)13-10-15(23-2)18(24-3)19(25-4)17(13)22/h5-10,22H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization after 30 mins				Bioorg Med Chem 23: 4230-6 (2015) Article DOI: 10.1016/j.bmc.2015.06.043 BindingDB Entry DOI: 10.7270/Q2571DS7
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50551595 (CHEMBL4757836) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1CCc1ccc(cc1)C(=O)Nc1cc(F)ccc1N Show InChI	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	9.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in baculovirus infected insect cells using RHKKAc-AMC as su...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC8 using RHKAcKAc-AMC as substrate measured after 60 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50551595 (CHEMBL4757836) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1CCc1ccc(cc1)C(=O)Nc1cc(F)ccc1N Show InChI	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+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC8 using RHKAcKAc-AMC as substrate measured after 60 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair

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