Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50001048   

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 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	9	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	17	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50268330 (CHEMBL4060953) Show SMILES CCOc1cc(NC(=O)CCCCCC(=O)Nc2cc(ccc2N)-c2ccccc2)cc2C=C(COc12)[N+]([O-])=O |c:34| Show InChI InChI=1S/C30H32N4O6/c1-2-39-27-18-23(15-22-16-24(34(37)38)19-40-30(22)27)32-28(35)11-7-4-8-12-29(36)33-26-17-21(13-14-25(26)31)20-9-5-3-6-10-20/h3,5-6,9-10,13-18H,2,4,7-8,11-12,19,31H2,1H3,(H,32,35)(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50268329 (CHEMBL4095143) Show SMILES CCOc1cc(NC(=O)CCCCCCC(=O)Nc2cc(ccc2N)-c2ccccc2)cc2C=C(COc12)[N+]([O-])=O |c:35| Show InChI InChI=1S/C31H34N4O6/c1-2-40-28-19-24(16-23-17-25(35(38)39)20-41-31(23)28)33-29(36)12-8-3-4-9-13-30(37)34-27-18-22(14-15-26(27)32)21-10-6-5-7-11-21/h5-7,10-11,14-19H,2-4,8-9,12-13,20,32H2,1H3,(H,33,36)(H,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50268331 (CHEMBL4069623) Show SMILES CCOc1cc(NC(=O)CCCCCCC(=O)Nc2ccccc2N)cc2C=C(COc12)[N+]([O-])=O |c:28| Show InChI InChI=1S/C25H30N4O6/c1-2-34-22-15-18(13-17-14-19(29(32)33)16-35-25(17)22)27-23(30)11-5-3-4-6-12-24(31)28-21-10-8-7-9-20(21)26/h7-10,13-15H,2-6,11-12,16,26H2,1H3,(H,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	232	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					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	271	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50268332 (CHEMBL4103874) Show SMILES CCOc1cc(NC(=O)CCCCCC(=O)Nc2ccccc2N)cc2C=C(COc12)[N+]([O-])=O |c:27| Show InChI InChI=1S/C24H28N4O6/c1-2-33-21-14-17(12-16-13-18(28(31)32)15-34-24(16)21)26-22(29)10-4-3-5-11-23(30)27-20-9-7-6-8-19(20)25/h6-9,12-14H,2-5,10-11,15,25H2,1H3,(H,26,29)(H,27,30)	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	288	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50268328 (CHEMBL4072341) Show SMILES CCOc1cc(NC(=O)CCCCCC(=O)Nc2cc(ccc2N)-c2ccc(C)s2)cc2C=C(COc12)[N+]([O-])=O |c:34| Show InChI InChI=1S/C29H32N4O6S/c1-3-38-25-16-21(13-20-14-22(33(36)37)17-39-29(20)25)31-27(34)7-5-4-6-8-28(35)32-24-15-19(10-11-23(24)30)26-12-9-18(2)40-26/h9-16H,3-8,17,30H2,1-2H3,(H,31,34)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	366	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50268331 (CHEMBL4069623) Show SMILES CCOc1cc(NC(=O)CCCCCCC(=O)Nc2ccccc2N)cc2C=C(COc12)[N+]([O-])=O |c:28| Show InChI InChI=1S/C25H30N4O6/c1-2-34-22-15-18(13-17-14-19(29(32)33)16-35-25(17)22)27-23(30)11-5-3-4-6-12-24(31)28-21-10-8-7-9-20(21)26/h7-10,13-15H,2-6,11-12,16,26H2,1H3,(H,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	439	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50268327 (CHEMBL4075124) Show SMILES CCOc1cc(NC(=O)CCCCCNC(=O)[C@H](N)Cc2ccccc2)cc2C=C(COc12)[N+]([O-])=O |r,c:29| Show InChI InChI=1S/C26H32N4O6/c1-2-35-23-16-20(14-19-15-21(30(33)34)17-36-25(19)23)29-24(31)11-7-4-8-12-28-26(32)22(27)13-18-9-5-3-6-10-18/h3,5-6,9-10,14-16,22H,2,4,7-8,11-13,17,27H2,1H3,(H,28,32)(H,29,31)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	448	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					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	505	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50268330 (CHEMBL4060953) Show SMILES CCOc1cc(NC(=O)CCCCCC(=O)Nc2cc(ccc2N)-c2ccccc2)cc2C=C(COc12)[N+]([O-])=O |c:34| Show InChI InChI=1S/C30H32N4O6/c1-2-39-27-18-23(15-22-16-24(34(37)38)19-40-30(22)27)32-28(35)11-7-4-8-12-29(36)33-26-17-21(13-14-25(26)31)20-9-5-3-6-10-20/h3,5-6,9-10,13-18H,2,4,7-8,11-12,19,31H2,1H3,(H,32,35)(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	659	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50268319 (CHEMBL4103290) Show SMILES CCOc1cc(NC(=O)CCCCNC(=O)[C@H](N)Cc2ccccc2)cc2C=C(COc12)[N+]([O-])=O |r,c:28| Show InChI InChI=1S/C25H30N4O6/c1-2-34-22-15-19(13-18-14-20(29(32)33)16-35-24(18)22)28-23(30)10-6-7-11-27-25(31)21(26)12-17-8-4-3-5-9-17/h3-5,8-9,13-15,21H,2,6-7,10-12,16,26H2,1H3,(H,27,31)(H,28,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	742	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50268332 (CHEMBL4103874) Show SMILES CCOc1cc(NC(=O)CCCCCC(=O)Nc2ccccc2N)cc2C=C(COc12)[N+]([O-])=O |c:27| Show InChI InChI=1S/C24H28N4O6/c1-2-33-21-14-17(12-16-13-18(28(31)32)15-34-24(16)21)26-22(29)10-4-3-5-11-23(30)27-20-9-7-6-8-19(20)25/h6-9,12-14H,2-5,10-11,15,25H2,1H3,(H,26,29)(H,27,30)	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	759	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50268329 (CHEMBL4095143) Show SMILES CCOc1cc(NC(=O)CCCCCCC(=O)Nc2cc(ccc2N)-c2ccccc2)cc2C=C(COc12)[N+]([O-])=O |c:35| Show InChI InChI=1S/C31H34N4O6/c1-2-40-28-19-24(16-23-17-25(35(38)39)20-41-31(23)28)33-29(36)12-8-3-4-9-13-30(37)34-27-18-22(14-15-26(27)32)21-10-6-5-7-11-21/h5-7,10-11,14-19H,2-4,8-9,12-13,20,32H2,1H3,(H,33,36)(H,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	827	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50268327 (CHEMBL4075124) Show SMILES CCOc1cc(NC(=O)CCCCCNC(=O)[C@H](N)Cc2ccccc2)cc2C=C(COc12)[N+]([O-])=O |r,c:29| Show InChI InChI=1S/C26H32N4O6/c1-2-35-23-16-20(14-19-15-21(30(33)34)17-36-25(19)23)29-24(31)11-7-4-8-12-28-26(32)22(27)13-18-9-5-3-6-10-18/h3,5-6,9-10,14-16,22H,2,4,7-8,11-13,17,27H2,1H3,(H,28,32)(H,29,31)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50268328 (CHEMBL4072341) Show SMILES CCOc1cc(NC(=O)CCCCCC(=O)Nc2cc(ccc2N)-c2ccc(C)s2)cc2C=C(COc12)[N+]([O-])=O |c:34| Show InChI InChI=1S/C29H32N4O6S/c1-3-38-25-16-21(13-20-14-22(33(36)37)17-39-29(20)25)31-27(34)7-5-4-6-8-28(35)32-24-15-19(10-11-23(24)30)26-12-9-18(2)40-26/h9-16H,3-8,17,30H2,1-2H3,(H,31,34)(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50268319 (CHEMBL4103290) Show SMILES CCOc1cc(NC(=O)CCCCNC(=O)[C@H](N)Cc2ccccc2)cc2C=C(COc12)[N+]([O-])=O |r,c:28| Show InChI InChI=1S/C25H30N4O6/c1-2-34-22-15-19(13-18-14-20(29(32)33)16-35-24(18)22)28-23(30)10-6-7-11-27-25(31)21(26)12-17-8-4-3-5-9-17/h3-5,8-9,13-15,21H,2,6-7,10-12,16,26H2,1H3,(H,27,31)(H,28,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, Jinan 250012, China. Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using Ac-Leu-GlyLys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition measured after ...				Bioorg Med Chem 25: 4123-4132 (2017) Article DOI: 10.1016/j.bmc.2017.05.062 BindingDB Entry DOI: 10.7270/Q27H1N23
					More data for this Ligand-Target Pair