Compile Data Set for Download or QSAR

Found 150 hits with Last Name = 'nicolescu' and Initial = 'a'   

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))	BDBM50277188 (CHEMBL473270 | N1-(biphenyl-3-yl)-N8-hydroxyoctane...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(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	9	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50277188 (CHEMBL473270 | N1-(biphenyl-3-yl)-N8-hydroxyoctane...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(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	9	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255853 (4-(((R)-2,3-dihydro-2-oxo-3-phenethylquinoxalin-4(...) Show SMILES ONC(=O)c1ccc(CN2[C@H](CCc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255852 (4-(((R)-3-(4-hydroxybenzyl)-2,3-dihydro-2-oxoquino...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255096 (4-(((R)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255809 (4-(((R)-3-(3,4-difluorobenzyl)-2,3-dihydro-2-oxoqu...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(F)c(F)c3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H19F2N3O3/c24-17-10-7-15(11-18(17)25)12-21-23(30)26-19-3-1-2-4-20(19)28(21)13-14-5-8-16(9-6-14)22(29)27-31/h1-11,21,31H,12-13H2,(H,26,30)(H,27,29)/t21-/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	40	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255854 ((R)-tert-butyl 4-(1-(4-(hydroxycarbamoyl)benzyl)-3...) Show SMILES CC(C)(C)OC(=O)NCCCC[C@H]1N(Cc2ccc(cc2)C(=O)NO)c2ccccc2NC1=O |r| Show InChI InChI=1S/C25H32N4O5/c1-25(2,3)34-24(32)26-15-7-6-10-21-23(31)27-19-8-4-5-9-20(19)29(21)16-17-11-13-18(14-12-17)22(30)28-33/h4-5,8-9,11-14,21,33H,6-7,10,15-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t21-/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255914 (4-(((R)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/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	40	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255910 (4-(((R)-3-(4-tert-butoxybenzyl)-2,3-dihydro-2-oxoq...) Show SMILES CC(C)(C)Oc1ccc(C[C@H]2N(Cc3ccc(cc3)C(=O)NO)c3ccccc3NC2=O)cc1 |r| Show InChI InChI=1S/C27H29N3O4/c1-27(2,3)34-21-14-10-18(11-15-21)16-24-26(32)28-22-6-4-5-7-23(22)30(24)17-19-8-12-20(13-9-19)25(31)29-33/h4-15,24,33H,16-17H2,1-3H3,(H,28,32)(H,29,31)/t24-/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	50	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50277329 ((S)-benzyl 1-(6-methoxyquinolin-8-ylamino)-1-oxo-6...) Show SMILES COc1cc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)c2ncccc2c1 |r| Show InChI InChI=1S/C24H29N5O6S/c1-34-19-14-18-10-7-12-26-22(18)21(15-19)28-23(30)20(11-5-6-13-27-36(25,32)33)29-24(31)35-16-17-8-3-2-4-9-17/h2-4,7-10,12,14-15,20,27H,5-6,11,13,16H2,1H3,(H,28,30)(H,29,31)(H2,25,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257130 ((S)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...) Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCNS(N)(=O)=O)C(=O)Nc3nc(cs3)-c3ccccc3)c2c1 |r| Show InChI InChI=1S/C27H32N6O5S2/c1-17-20(21-14-19(38-2)11-12-22(21)30-17)15-25(34)31-23(10-6-7-13-29-40(28,36)37)26(35)33-27-32-24(16-39-27)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,16,23,29-30H,6-7,10,13,15H2,1-2H3,(H,31,34)(H2,28,36,37)(H,32,33,35)/t23-/m0/s1	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	64	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					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	100	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50257173 ((S)-benzyl 1-(1H-benzo[d]imidazol-2-yl)-5-(sulfamo...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C20H25N5O4S/c21-30(27,28)22-13-7-6-12-18(19-23-16-10-4-5-11-17(16)24-19)25-20(26)29-14-15-8-2-1-3-9-15/h1-5,8-11,18,22H,6-7,12-14H2,(H,23,24)(H,25,26)(H2,21,27,28)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255912 (4-(((R)-2-((1H-indol-3-yl)methyl)-3,6-dioxopiperaz...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3c[nH]c4ccccc34)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C21H20N4O4/c26-19-11-23-21(28)18(9-15-10-22-17-4-2-1-3-16(15)17)25(19)12-13-5-7-14(8-6-13)20(27)24-29/h1-8,10,18,22,29H,9,11-12H2,(H,23,28)(H,24,27)/t18-/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	110	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50256996 ((S)-benzyl 1-(4-(4-methoxyphenyl)thiazol-2-ylamino...) Show SMILES COc1ccc(cc1)-c1csc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1 |r| Show InChI InChI=1S/C24H29N5O6S2/c1-34-19-12-10-18(11-13-19)21-16-36-23(27-21)29-22(30)20(9-5-6-14-26-37(25,32)33)28-24(31)35-15-17-7-3-2-4-8-17/h2-4,7-8,10-13,16,20,26H,5-6,9,14-15H2,1H3,(H,28,31)(H2,25,32,33)(H,27,29,30)/t20-/m0/s1	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	120	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255097 (4-((2,3-dihydro-2-oxoquinoxalin-4(1H)-yl)methyl)-N...) Show SMILES ONC(=O)c1ccc(CN2CC(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C16H15N3O3/c20-15-10-19(14-4-2-1-3-13(14)17-15)9-11-5-7-12(8-6-11)16(21)18-22/h1-8,22H,9-10H2,(H,17,20)(H,18,21)	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	150	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50257091 ((S)-2-(2-phenylacetamido)-N-(4-phenylthiazol-2-yl)...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C23H27N5O4S2/c24-34(31,32)25-14-8-7-13-19(26-21(29)15-17-9-3-1-4-10-17)22(30)28-23-27-20(16-33-23)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,26,29)(H2,24,31,32)(H,27,28,30)/t19-/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	150	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257046 ((S)-benzyl 1-(4-(4-chlorophenyl)thiazol-2-ylamino)...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H26ClN5O5S2/c24-18-11-9-17(10-12-18)20-15-35-22(27-20)29-21(30)19(8-4-5-13-26-36(25,32)33)28-23(31)34-14-16-6-2-1-3-7-16/h1-3,6-7,9-12,15,19,26H,4-5,8,13-14H2,(H,28,31)(H2,25,32,33)(H,27,29,30)/t19-/m0/s1	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	150	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50256888 ((S)-benzyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C23H27N5O5S2/c24-35(31,32)25-14-8-7-13-19(27-23(30)33-15-17-9-3-1-4-10-17)21(29)28-22-26-20(16-34-22)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,27,30)(H2,24,31,32)(H,26,28,29)/t19-/m0/s1	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	160	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50256888 ((S)-benzyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C23H27N5O5S2/c24-35(31,32)25-14-8-7-13-19(27-23(30)33-15-17-9-3-1-4-10-17)21(29)28-22-26-20(16-34-22)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,27,30)(H2,24,31,32)(H,26,28,29)/t19-/m0/s1	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	160	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255913 (CHEMBL481726 | N-hydroxy-4-(((R)-3,6-dioxo-2-((thi...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C17H17N3O4S/c21-15-9-18-17(23)14(8-13-2-1-7-25-13)20(15)10-11-3-5-12(6-4-11)16(22)19-24/h1-7,14,24H,8-10H2,(H,18,23)(H,19,22)/t14-/m1/s1	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	160	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255911 (4-(((R)-2-benzyl-3,6-dioxopiperazin-1-yl)methyl)-N...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C19H19N3O4/c23-17-11-20-19(25)16(10-13-4-2-1-3-5-13)22(17)12-14-6-8-15(9-7-14)18(24)21-26/h1-9,16,26H,10-12H2,(H,20,25)(H,21,24)/t16-/m1/s1	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	170	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50256888 ((S)-benzyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C23H27N5O5S2/c24-35(31,32)25-14-8-7-13-19(27-23(30)33-15-17-9-3-1-4-10-17)21(29)28-22-26-20(16-34-22)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,27,30)(H2,24,31,32)(H,26,28,29)/t19-/m0/s1	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	180	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50256888 ((S)-benzyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C23H27N5O5S2/c24-35(31,32)25-14-8-7-13-19(27-23(30)33-15-17-9-3-1-4-10-17)21(29)28-22-26-20(16-34-22)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,27,30)(H2,24,31,32)(H,26,28,29)/t19-/m0/s1	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	180	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50256945 ((S)-benzyl 1-(benzo[d]thiazol-2-ylamino)-1-oxo-6-(...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2ccccc2s1 |r| Show InChI InChI=1S/C21H25N5O5S2/c22-33(29,30)23-13-7-6-11-17(25-21(28)31-14-15-8-2-1-3-9-15)19(27)26-20-24-16-10-4-5-12-18(16)32-20/h1-5,8-10,12,17,23H,6-7,11,13-14H2,(H,25,28)(H2,22,29,30)(H,24,26,27)/t17-/m0/s1	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	190	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					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	200	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50256887 ((S)-ethyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(s...) Show SMILES CCOC(=O)N[C@@H](CCCCNS(N)(=O)=O)C(=O)Nc1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C18H25N5O5S2/c1-2-28-18(25)22-14(10-6-7-11-20-30(19,26)27)16(24)23-17-21-15(12-29-17)13-8-4-3-5-9-13/h3-5,8-9,12,14,20H,2,6-7,10-11H2,1H3,(H,22,25)(H2,19,26,27)(H,21,23,24)/t14-/m0/s1	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	200	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50256996 ((S)-benzyl 1-(4-(4-methoxyphenyl)thiazol-2-ylamino...) Show SMILES COc1ccc(cc1)-c1csc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1 |r| Show InChI InChI=1S/C24H29N5O6S2/c1-34-19-12-10-18(11-13-19)21-16-36-23(27-21)29-22(30)20(9-5-6-14-26-37(25,32)33)28-24(31)35-15-17-7-3-2-4-8-17/h2-4,7-8,10-13,16,20,26H,5-6,9,14-15H2,1H3,(H,28,31)(H2,25,32,33)(H,27,29,30)/t20-/m0/s1	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	200	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257223 ((S)-benzyl 5-(sulfamoylamino)-1-(5-(thiophen-2-yl)...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2cc(ccc2[nH]1)-c1cccs1 |r| Show InChI InChI=1S/C24H27N5O4S2/c25-35(31,32)26-13-5-4-9-20(29-24(30)33-16-17-7-2-1-3-8-17)23-27-19-12-11-18(15-21(19)28-23)22-10-6-14-34-22/h1-3,6-8,10-12,14-15,20,26H,4-5,9,13,16H2,(H,27,28)(H,29,30)(H2,25,31,32)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255095 (4-(((S)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/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	210	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255095 (4-(((S)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/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	220	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255910 (4-(((R)-3-(4-tert-butoxybenzyl)-2,3-dihydro-2-oxoq...) Show SMILES CC(C)(C)Oc1ccc(C[C@H]2N(Cc3ccc(cc3)C(=O)NO)c3ccccc3NC2=O)cc1 |r| Show InChI InChI=1S/C27H29N3O4/c1-27(2,3)34-21-14-10-18(11-15-21)16-24-26(32)28-22-6-4-5-7-23(22)30(24)17-19-8-12-20(13-9-19)25(31)29-33/h4-15,24,33H,16-17H2,1-3H3,(H,28,32)(H,29,31)/t24-/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	250	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50257046 ((S)-benzyl 1-(4-(4-chlorophenyl)thiazol-2-ylamino)...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H26ClN5O5S2/c24-18-11-9-17(10-12-18)20-15-35-22(27-20)29-21(30)19(8-4-5-13-26-36(25,32)33)28-23(31)34-14-16-6-2-1-3-7-16/h1-3,6-7,9-12,15,19,26H,4-5,8,13-14H2,(H,28,31)(H2,25,32,33)(H,27,29,30)/t19-/m0/s1	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	250	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255096 (4-(((R)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/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	260	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50256947 ((S)-3-chlorobenzyl 1-oxo-1-(4-phenylthiazol-2-ylam...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1cccc(Cl)c1)C(=O)Nc1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C23H26ClN5O5S2/c24-18-10-6-7-16(13-18)14-34-23(31)28-19(11-4-5-12-26-36(25,32)33)21(30)29-22-27-20(15-35-22)17-8-2-1-3-9-17/h1-3,6-10,13,15,19,26H,4-5,11-12,14H2,(H,28,31)(H2,25,32,33)(H,27,29,30)/t19-/m0/s1	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	280	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257224 ((S)-benzyl 1-(2-phenyl-1H-imidazol-4-yl)-5-(sulfam...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1cnc([nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27N5O4S/c23-32(29,30)25-14-8-7-13-19(27-22(28)31-16-17-9-3-1-4-10-17)20-15-24-21(26-20)18-11-5-2-6-12-18/h1-6,9-12,15,19,25H,7-8,13-14,16H2,(H,24,26)(H,27,28)(H2,23,29,30)/t19-/m0/s1	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	290	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255851 (4-(((S)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...) Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/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	310	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 6				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50257225 ((S)-benzyl 1-(5-phenyl-1H-1,2,4-triazol-3-yl)-5-(s...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nnc([nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C21H26N6O4S/c22-32(29,30)23-14-8-7-13-18(24-21(28)31-15-16-9-3-1-4-10-16)20-25-19(26-27-20)17-11-5-2-6-12-17/h1-6,9-12,18,23H,7-8,13-15H2,(H,24,28)(H2,22,29,30)(H,25,26,27)/t18-/m0/s1	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	320	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255852 (4-(((R)-3-(4-hydroxybenzyl)-2,3-dihydro-2-oxoquino...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/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	330	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 2				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257093 ((S)-2-(3-(4-fluorobenzyl)ureido)-N-(4-phenylthiazo...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C23H27FN6O4S2/c24-18-11-9-16(10-12-18)14-26-22(32)28-19(8-4-5-13-27-36(25,33)34)21(31)30-23-29-20(15-35-23)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19,27H,4-5,8,13-14H2,(H2,25,33,34)(H2,26,28,32)(H,29,30,31)/t19-/m0/s1	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	350	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50256947 ((S)-3-chlorobenzyl 1-oxo-1-(4-phenylthiazol-2-ylam...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1cccc(Cl)c1)C(=O)Nc1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C23H26ClN5O5S2/c24-18-10-6-7-16(13-18)14-34-23(31)28-19(11-4-5-12-26-36(25,32)33)21(30)29-22-27-20(15-35-22)17-8-2-1-3-9-17/h1-3,6-10,13,15,19,26H,4-5,11-12,14H2,(H,28,31)(H2,25,32,33)(H,27,29,30)/t19-/m0/s1	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	350	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50257093 ((S)-2-(3-(4-fluorobenzyl)ureido)-N-(4-phenylthiazo...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C23H27FN6O4S2/c24-18-11-9-16(10-12-18)14-26-22(32)28-19(8-4-5-13-27-36(25,33)34)21(31)30-23-29-20(15-35-23)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19,27H,4-5,8,13-14H2,(H2,25,33,34)(H2,26,28,32)(H,29,30,31)/t19-/m0/s1	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	370	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50257170 ((S)-benzyl 1-(2-(4-(2-(dimethylamino)ethoxy)phenyl...) Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(cs1)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C26H35N5O5S2/c1-31(2)16-17-35-22-13-11-21(12-14-22)25-29-24(19-37-25)23(10-6-7-15-28-38(27,33)34)30-26(32)36-18-20-8-4-3-5-9-20/h3-5,8-9,11-14,19,23,28H,6-7,10,15-18H2,1-2H3,(H,30,32)(H2,27,33,34)/t23-/m0/s1	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	390	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50277289 (CHEMBL507114 | N-(quinolin-8-yl)-6-(sulfamoylamino...) Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C15H20N4O3S/c16-23(21,22)18-11-3-1-2-9-14(20)19-13-8-4-6-12-7-5-10-17-15(12)13/h4-8,10,18H,1-3,9,11H2,(H,19,20)(H2,16,21,22)	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	390	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50257132 ((S)-benzyl 1-(2-phenylthiazol-4-yl)-5-(sulfamoylam...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1csc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H26N4O4S2/c23-32(28,29)24-14-8-7-13-19(26-22(27)30-15-17-9-3-1-4-10-17)20-16-31-21(25-20)18-11-5-2-6-12-18/h1-6,9-12,16,19,24H,7-8,13-15H2,(H,26,27)(H2,23,28,29)/t19-/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	400	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50257224 ((S)-benzyl 1-(2-phenyl-1H-imidazol-4-yl)-5-(sulfam...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1cnc([nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27N5O4S/c23-32(29,30)25-14-8-7-13-19(27-22(28)31-16-17-9-3-1-4-10-17)20-15-24-21(26-20)18-11-5-2-6-12-18/h1-6,9-12,15,19,25H,7-8,13-14,16H2,(H,24,26)(H,27,28)(H2,23,29,30)/t19-/m0/s1	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	410	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50256997 ((S)-benzyl 1-(4-(3-methoxyphenyl)thiazol-2-ylamino...) Show SMILES COc1cccc(c1)-c1csc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1 |r| Show InChI InChI=1S/C24H29N5O6S2/c1-34-19-11-7-10-18(14-19)21-16-36-23(27-21)29-22(30)20(12-5-6-13-26-37(25,32)33)28-24(31)35-15-17-8-3-2-4-9-17/h2-4,7-11,14,16,20,26H,5-6,12-13,15H2,1H3,(H,28,31)(H2,25,32,33)(H,27,29,30)/t20-/m0/s1	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	420	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus				Bioorg Med Chem Lett 19: 1866-70 (2009) Article DOI: 10.1016/j.bmcl.2009.02.075 BindingDB Entry DOI: 10.7270/Q2PV6K7W
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255809 (4-(((R)-3-(3,4-difluorobenzyl)-2,3-dihydro-2-oxoqu...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(F)c(F)c3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H19F2N3O3/c24-17-10-7-15(11-18(17)25)12-21-23(30)26-19-3-1-2-4-20(19)28(21)13-14-5-8-16(9-6-14)22(29)27-31/h1-11,21,31H,12-13H2,(H,26,30)(H,27,29)/t21-/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	420	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant histone deacetylase 8				Bioorg Med Chem Lett 19: 688-92 (2009) Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S
					More data for this Ligand-Target Pair

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