Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50005915   

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	38	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	144	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					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	232	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM41563 (US8871728, 167e) Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2cccc(c2)C#N)c1=S Show InChI InChI=1S/C17H24F3N3O2/c1-12-9-15(21-25-12)16(24)23-6-2-3-13(11-23)10-22-7-4-14(5-8-22)17(18,19)20/h9,13-14H,2-8,10-11H2,1H3	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	356	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM41561 (US8871728, 167c) Show SMILES Cc1ccccc1-c1cn(CCCCCn2cccc(O)c2=S)nn1 Show InChI InChI=1S/C20H25N3O2/c1-15-11-19(21-25-15)20(24)23-9-4-5-16(13-23)12-22-10-8-17-6-2-3-7-18(17)14-22/h2-3,6-7,11,16H,4-5,8-10,12-14H2,1H3	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	637	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM41565 (US8871728, 167g) Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccc(C#N)c(c2)C(F)(F)F)c1=S Show InChI InChI=1S/C20H18F3N5OS/c21-20(22,23)16-11-14(6-7-15(16)12-24)17-13-28(26-25-17)10-3-1-2-8-27-9-4-5-18(29)19(27)30/h4-7,9,11,13,29H,1-3,8,10H2	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	661	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM41559 (US8871728, 167a) Show SMILES Cc1ccc(cc1)-c1cn(CCCCCn2cccc(O)c2=S)nn1 Show InChI InChI=1S/C17H29N3O3/c1-13(2)19(8-9-22-4)11-15-6-5-7-20(12-15)17(21)16-10-14(3)23-18-16/h10,13,15H,5-9,11-12H2,1-4H3	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	807	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM41562 (US8871728, 167d) Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccc(cc2)C#N)c1=S Show InChI InChI=1S/C19H26N6O2/c1-15-11-17(22-27-15)19(26)25-6-2-3-16(14-25)13-23-7-9-24(10-8-23)18-12-20-4-5-21-18/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3	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	905	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM41547 (US8871728, 162d) Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccccc2)c1=S Show InChI InChI=1S/C24H21FN4O2/c25-19-9-6-16(7-10-19)14-29-15-20(13-26-29)27-24(30)23-21-12-18(8-11-22(21)31-28-23)17-4-2-1-3-5-17/h1-7,9-10,13,15,18H,8,11-12,14H2,(H,27,30)	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	911	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM41547 (US8871728, 162d) Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccccc2)c1=S Show InChI InChI=1S/C24H21FN4O2/c25-19-9-6-16(7-10-19)14-29-15-20(13-26-29)27-24(30)23-21-12-18(8-11-22(21)31-28-23)17-4-2-1-3-5-17/h1-7,9-10,13,15,18H,8,11-12,14H2,(H,27,30)	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	917	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM41558 (US8871728, 162f) Show SMILES Oc1cccn(CCCCCCCn2cc(nn2)-c2ccccc2)c1=S Show InChI InChI=1S/C22H20ClFN4O2/c1-22(2,3)14-7-8-18-16(10-14)19(27-30-18)21(29)26-17-11-25-28(20(17)23)12-13-5-4-6-15(24)9-13/h4-11H,12H2,1-3H3,(H,26,29)	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	955	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM41564 (US8871728, 167f) Show SMILES CN(C)c1ccc(cc1)-c1cn(CCCCCn2cccc(O)c2=S)nn1 Show InChI InChI=1S/C20H25N5OS/c1-23(2)17-10-8-16(9-11-17)18-15-25(22-21-18)14-5-3-4-12-24-13-6-7-19(26)20(24)27/h6-11,13,15,26H,3-5,12,14H2,1-2H3	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	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM41545 (US8871728, 162c) Show SMILES Oc1cccn(CCCCn2cc(nn2)-c2ccccc2)c1=S Show InChI InChI=1S/C19H18Cl2N4O2/c20-13-7-6-12(16(21)8-13)10-25-11-14(9-22-25)23-19(26)18-15-4-2-1-3-5-17(15)27-24-18/h6-9,11H,1-5,10H2,(H,23,26)	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	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM41560 (US8871728, 167b) Show SMILES Cc1cccc(c1)-c1cn(CCCCCn2cccc(O)c2=S)nn1 Show InChI InChI=1S/C18H29N3O2/c1-3-8-20(11-15-6-7-15)12-16-5-4-9-21(13-16)18(22)17-10-14(2)23-19-17/h10,15-16H,3-9,11-13H2,1-2H3	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM41558 (US8871728, 162f) Show SMILES Oc1cccn(CCCCCCCn2cc(nn2)-c2ccccc2)c1=S Show InChI InChI=1S/C22H20ClFN4O2/c1-22(2,3)14-7-8-18-16(10-14)19(27-30-18)21(29)26-17-11-25-28(20(17)23)12-13-5-4-6-15(24)9-13/h4-11H,12H2,1-3H3,(H,26,29)	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	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM41562 (US8871728, 167d) Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccc(cc2)C#N)c1=S Show InChI InChI=1S/C19H26N6O2/c1-15-11-17(22-27-15)19(26)25-6-2-3-16(14-25)13-23-7-9-24(10-8-23)18-12-20-4-5-21-18/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3	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	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM41564 (US8871728, 167f) Show SMILES CN(C)c1ccc(cc1)-c1cn(CCCCCn2cccc(O)c2=S)nn1 Show InChI InChI=1S/C20H25N5OS/c1-23(2)17-10-8-16(9-11-17)18-15-25(22-21-18)14-5-3-4-12-24-13-6-7-19(26)20(24)27/h6-11,13,15,26H,3-5,12,14H2,1-2H3	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	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50430982 (CHEMBL2337863) Show SMILES Oc1cccn(Cc2cn(nn2)-c2ccccc2)c1=S Show InChI InChI=1S/C14H12N4OS/c19-13-7-4-8-17(14(13)20)9-11-10-18(16-15-11)12-5-2-1-3-6-12/h1-8,10,19H,9H2	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	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM41560 (US8871728, 167b) Show SMILES Cc1cccc(c1)-c1cn(CCCCCn2cccc(O)c2=S)nn1 Show InChI InChI=1S/C18H29N3O2/c1-3-8-20(11-15-6-7-15)12-16-5-4-9-21(13-16)18(22)17-10-14(2)23-19-17/h10,15-16H,3-9,11-13H2,1-2H3	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	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM41565 (US8871728, 167g) Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccc(C#N)c(c2)C(F)(F)F)c1=S Show InChI InChI=1S/C20H18F3N5OS/c21-20(22,23)16-11-14(6-7-15(16)12-24)17-13-28(26-25-17)10-3-1-2-8-27-9-4-5-18(29)19(27)30/h4-7,9,11,13,29H,1-3,8,10H2	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	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM41561 (US8871728, 167c) Show SMILES Cc1ccccc1-c1cn(CCCCCn2cccc(O)c2=S)nn1 Show InChI InChI=1S/C20H25N3O2/c1-15-11-19(21-25-15)20(24)23-9-4-5-16(13-23)12-22-10-8-17-6-2-3-7-18(17)14-22/h2-3,6-7,11,16H,4-5,8-10,12-14H2,1H3	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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM41559 (US8871728, 167a) Show SMILES Cc1ccc(cc1)-c1cn(CCCCCn2cccc(O)c2=S)nn1 Show InChI InChI=1S/C17H29N3O3/c1-13(2)19(8-9-22-4)11-15-6-5-7-20(12-15)17(21)16-10-14(3)23-18-16/h10,13,15H,5-9,11-12H2,1-4H3	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	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM41563 (US8871728, 167e) Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2cccc(c2)C#N)c1=S Show InChI InChI=1S/C17H24F3N3O2/c1-12-9-15(21-25-12)16(24)23-6-2-3-13(11-23)10-22-7-4-14(5-8-22)17(18,19)20/h9,13-14H,2-8,10-11H2,1H3	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	2.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM41545 (US8871728, 162c) Show SMILES Oc1cccn(CCCCn2cc(nn2)-c2ccccc2)c1=S Show InChI InChI=1S/C19H18Cl2N4O2/c20-13-7-6-12(16(21)8-13)10-25-11-14(9-22-25)23-19(26)18-15-4-2-1-3-5-17(15)27-24-18/h6-9,11H,1-5,10H2,(H,23,26)	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	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM41544 (US8871728, 162b) Show SMILES Oc1cccn(CCCn2cc(nn2)-c2ccccc2)c1=S Show InChI InChI=1S/C18H17FN4O2/c19-13-7-5-12(6-8-13)10-23-11-14(9-20-23)21-18(24)17-15-3-1-2-4-16(15)25-22-17/h5-9,11H,1-4,10H2,(H,21,24)	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	3.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM41563 (US8871728, 167e) Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2cccc(c2)C#N)c1=S Show InChI InChI=1S/C17H24F3N3O2/c1-12-9-15(21-25-12)16(24)23-6-2-3-13(11-23)10-22-7-4-14(5-8-22)17(18,19)20/h9,13-14H,2-8,10-11H2,1H3	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	3.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM41547 (US8871728, 162d) Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccccc2)c1=S Show InChI InChI=1S/C24H21FN4O2/c25-19-9-6-16(7-10-19)14-29-15-20(13-26-29)27-24(30)23-21-12-18(8-11-22(21)31-28-23)17-4-2-1-3-5-17/h1-7,9-10,13,15,18H,8,11-12,14H2,(H,27,30)	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	5.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50495391 (CHEMBL3110284) Show SMILES Oc1cccn(CCn2cc(nn2)-c2ccccc2)c1=S Show InChI InChI=1S/C15H14N4OS/c20-14-7-4-8-18(15(14)21)9-10-19-11-13(16-17-19)12-5-2-1-3-6-12/h1-8,11,20H,9-10H2	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	6.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM41544 (US8871728, 162b) Show SMILES Oc1cccn(CCCn2cc(nn2)-c2ccccc2)c1=S Show InChI InChI=1S/C18H17FN4O2/c19-13-7-5-12(6-8-13)10-23-11-14(9-20-23)21-18(24)17-15-3-1-2-4-16(15)25-22-17/h5-9,11H,1-4,10H2,(H,21,24)	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	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM41549 (US8871728, 162e) Show SMILES Oc1cccn(CCCCCCn2cc(nn2)-c2ccccc2)c1=S Show InChI InChI=1S/C18H13FN4O2/c19-13-7-5-12(6-8-13)10-23-11-14(9-20-23)21-18(24)17-15-3-1-2-4-16(15)25-22-17/h1-9,11H,10H2,(H,21,24)	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	6.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair