Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50048294   

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 3 (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 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	20	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC3 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					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	33	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					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	33	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					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	96	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His-tag HDAC8 expressed in baculovirus expression system preincubated for 15 mins followed by HDAC-Glo sub...				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 8 (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 MMDB PDB Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His-tag HDAC8 expressed in baculovirus expression system preincubated for 15 mins followed by HDAC-Glo sub...				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50212243 (CHEMBL3982264) Show SMILES CCCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO Show InChI InChI=1S/C20H32N2O3/c1-2-3-4-7-12-17(20(24)22-25)13-8-5-11-16-19(23)21-18-14-9-6-10-15-18/h6,9-10,14-15,17,25H,2-5,7-8,11-13,16H2,1H3,(H,21,23)(H,22,24)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50212247 (CHEMBL3982065) Show SMILES CCCCCC[C@H](CCCCCC(=O)Nc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C20H32N2O3/c1-2-3-4-7-12-17(20(24)22-25)13-8-5-11-16-19(23)21-18-14-9-6-10-15-18/h6,9-10,14-15,17,25H,2-5,7-8,11-13,16H2,1H3,(H,21,23)(H,22,24)/t17-/m1/s1	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	710	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His-tag HDAC8 expressed in baculovirus expression system preincubated for 15 mins followed by HDAC-Glo sub...				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50212246 (CHEMBL3953547) Show SMILES CCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO Show InChI InChI=1S/C19H30N2O3/c1-2-3-6-11-16(19(23)21-24)12-7-4-10-15-18(22)20-17-13-8-5-9-14-17/h5,8-9,13-14,16,24H,2-4,6-7,10-12,15H2,1H3,(H,20,22)(H,21,23)	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	850	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50212245 (CHEMBL435160) Show SMILES ONC(=O)C(CCCCCC(=O)Nc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C21H26N2O3/c24-20(22-19-13-7-3-8-14-19)15-9-2-6-12-18(21(25)23-26)16-17-10-4-1-5-11-17/h1,3-5,7-8,10-11,13-14,18,26H,2,6,9,12,15-16H2,(H,22,24)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His-tag HDAC8 expressed in baculovirus expression system preincubated for 15 mins followed by HDAC-Glo sub...				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50212246 (CHEMBL3953547) Show SMILES CCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO Show InChI InChI=1S/C19H30N2O3/c1-2-3-6-11-16(19(23)21-24)12-7-4-10-15-18(22)20-17-13-8-5-9-14-17/h5,8-9,13-14,16,24H,2-4,6-7,10-12,15H2,1H3,(H,20,22)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His-tag HDAC8 expressed in baculovirus expression system preincubated for 15 mins followed by HDAC-Glo sub...				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50212245 (CHEMBL435160) Show SMILES ONC(=O)C(CCCCCC(=O)Nc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C21H26N2O3/c24-20(22-19-13-7-3-8-14-19)15-9-2-6-12-18(21(25)23-26)16-17-10-4-1-5-11-17/h1,3-5,7-8,10-11,13-14,18,26H,2,6,9,12,15-16H2,(H,22,24)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50212243 (CHEMBL3982264) Show SMILES CCCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO Show InChI InChI=1S/C20H32N2O3/c1-2-3-4-7-12-17(20(24)22-25)13-8-5-11-16-19(23)21-18-14-9-6-10-15-18/h6,9-10,14-15,17,25H,2-5,7-8,11-13,16H2,1H3,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His-tag HDAC8 expressed in baculovirus expression system preincubated for 15 mins followed by HDAC-Glo sub...				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC3 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50212244 (CHEMBL3891027) Show SMILES CCCCCC[C@@H](CCCCCC(=O)Nc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C20H32N2O3/c1-2-3-4-7-12-17(20(24)22-25)13-8-5-11-16-19(23)21-18-14-9-6-10-15-18/h6,9-10,14-15,17,25H,2-5,7-8,11-13,16H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1	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	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His-tag HDAC8 expressed in baculovirus expression system preincubated for 15 mins followed by HDAC-Glo sub...				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50212246 (CHEMBL3953547) Show SMILES CCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO Show InChI InChI=1S/C19H30N2O3/c1-2-3-6-11-16(19(23)21-24)12-7-4-10-15-18(22)20-17-13-8-5-9-14-17/h5,8-9,13-14,16,24H,2-4,6-7,10-12,15H2,1H3,(H,20,22)(H,21,23)	PDB 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	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC3 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50212246 (CHEMBL3953547) Show SMILES CCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO Show InChI InChI=1S/C19H30N2O3/c1-2-3-6-11-16(19(23)21-24)12-7-4-10-15-18(22)20-17-13-8-5-9-14-17/h5,8-9,13-14,16,24H,2-4,6-7,10-12,15H2,1H3,(H,20,22)(H,21,23)	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	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50212246 (CHEMBL3953547) Show SMILES CCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO Show InChI InChI=1S/C19H30N2O3/c1-2-3-6-11-16(19(23)21-24)12-7-4-10-15-18(22)20-17-13-8-5-9-14-17/h5,8-9,13-14,16,24H,2-4,6-7,10-12,15H2,1H3,(H,20,22)(H,21,23)	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	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50212245 (CHEMBL435160) Show SMILES ONC(=O)C(CCCCCC(=O)Nc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C21H26N2O3/c24-20(22-19-13-7-3-8-14-19)15-9-2-6-12-18(21(25)23-26)16-17-10-4-1-5-11-17/h1,3-5,7-8,10-11,13-14,18,26H,2,6,9,12,15-16H2,(H,22,24)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50212245 (CHEMBL435160) Show SMILES ONC(=O)C(CCCCCC(=O)Nc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C21H26N2O3/c24-20(22-19-13-7-3-8-14-19)15-9-2-6-12-18(21(25)23-26)16-17-10-4-1-5-11-17/h1,3-5,7-8,10-11,13-14,18,26H,2,6,9,12,15-16H2,(H,22,24)(H,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC3 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50212243 (CHEMBL3982264) Show SMILES CCCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO Show InChI InChI=1S/C20H32N2O3/c1-2-3-4-7-12-17(20(24)22-25)13-8-5-11-16-19(23)21-18-14-9-6-10-15-18/h6,9-10,14-15,17,25H,2-5,7-8,11-13,16H2,1H3,(H,21,23)(H,22,24)	PDB 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	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC3 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50212245 (CHEMBL435160) Show SMILES ONC(=O)C(CCCCCC(=O)Nc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C21H26N2O3/c24-20(22-19-13-7-3-8-14-19)15-9-2-6-12-18(21(25)23-26)16-17-10-4-1-5-11-17/h1,3-5,7-8,10-11,13-14,18,26H,2,6,9,12,15-16H2,(H,22,24)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50212243 (CHEMBL3982264) Show SMILES CCCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO Show InChI InChI=1S/C20H32N2O3/c1-2-3-4-7-12-17(20(24)22-25)13-8-5-11-16-19(23)21-18-14-9-6-10-15-18/h6,9-10,14-15,17,25H,2-5,7-8,11-13,16H2,1H3,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50212243 (CHEMBL3982264) Show SMILES CCCCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO Show InChI InChI=1S/C20H32N2O3/c1-2-3-4-7-12-17(20(24)22-25)13-8-5-11-16-19(23)21-18-14-9-6-10-15-18/h6,9-10,14-15,17,25H,2-5,7-8,11-13,16H2,1H3,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50212244 (CHEMBL3891027) Show SMILES CCCCCC[C@@H](CCCCCC(=O)Nc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C20H32N2O3/c1-2-3-4-7-12-17(20(24)22-25)13-8-5-11-16-19(23)21-18-14-9-6-10-15-18/h6,9-10,14-15,17,25H,2-5,7-8,11-13,16H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1	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	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50212244 (CHEMBL3891027) Show SMILES CCCCCC[C@@H](CCCCCC(=O)Nc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C20H32N2O3/c1-2-3-4-7-12-17(20(24)22-25)13-8-5-11-16-19(23)21-18-14-9-6-10-15-18/h6,9-10,14-15,17,25H,2-5,7-8,11-13,16H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1	PDB 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	5.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC3 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50212244 (CHEMBL3891027) Show SMILES CCCCCC[C@@H](CCCCCC(=O)Nc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C20H32N2O3/c1-2-3-4-7-12-17(20(24)22-25)13-8-5-11-16-19(23)21-18-14-9-6-10-15-18/h6,9-10,14-15,17,25H,2-5,7-8,11-13,16H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1	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	5.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of HDAC2 in human HeLaS3 cells preincubated for 15 mins followed by HDAC-Glo substrate addition measured after 30 to 45 mins by ELISA				ACS Med Chem Lett 8: 281-286 (2017) Article DOI: 10.1021/acsmedchemlett.6b00124 BindingDB Entry DOI: 10.7270/Q2KS6TQF
					More data for this Ligand-Target Pair