Compile Data Set for Download or QSAR

Found 11 hits of non-affinity data for polymerid = 2556   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 6 (Homo sapiens (Human))	BDBM25148 (2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo...) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C30H36N4O3/c1-4-22(35)13-9-6-10-14-27(30-31-19-28(34-30)21-11-7-5-8-12-21)33-29(36)18-24-20(2)32-26-16-15-23(37-3)17-25(24)26/h5,7-8,11-12,15-17,19,27,32H,4,6,9-10,13-14,18H2,1-3H3,(H,31,34)(H,33,36)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				J Med Chem 51: 2350-3 (2008) Article DOI: 10.1021/jm800079s BindingDB Entry DOI: 10.7270/Q2W957H9
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 1814-9 (2008) Article DOI: 10.1016/j.bmcl.2008.02.025 BindingDB Entry DOI: 10.7270/Q2RJ4GSK
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM25165 (N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethy...) Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(s1)C(O)C(F)(F)F Show InChI InChI=1S/C15H14F3NO2S/c1-19(9-10-5-3-2-4-6-10)14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-8,13,20H,9H2,1H3	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	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM25166 (1-({5-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]thiop...) Show SMILES FC(F)(F)C1(OCCO1)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C17H14F3NO3S/c18-17(19,20)16(23-9-10-24-16)14-6-5-13(25-14)15(22)21-8-7-11-3-1-2-4-12(11)21/h1-6H,7-10H2	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	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM25174 (1-[(5-methanesulfonylthiophen-2-yl)carbonyl]-2,3-d...) Show SMILES CS(=O)(=O)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C14H13NO3S2/c1-20(17,18)13-7-6-12(19-13)14(16)15-9-8-10-4-2-3-5-11(10)15/h2-7H,8-9H2,1H3	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	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM25168 (2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-...) Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)NO)c1ccccc1 |r| Show InChI InChI=1S/C14H14N2O3S/c1-9(10-5-3-2-4-6-10)15-13(17)11-7-8-12(20-11)14(18)16-19/h2-9,19H,1H3,(H,15,17)(H,16,18)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM25170 (N-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluo...) Show SMILES COc1ccc(CNC(=O)c2ccc(s2)C(=O)C(F)(F)C(F)(F)F)cc1 Show InChI InChI=1S/C16H12F5NO3S/c1-25-10-4-2-9(3-5-10)8-22-14(24)12-7-6-11(26-12)13(23)15(17,18)16(19,20)21/h2-7H,8H2,1H3,(H,22,24)	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	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM25171 (5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophene-2-p...) Show SMILES OP(O)(=O)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C13H12NO4PS/c15-13(11-5-6-12(20-11)19(16,17)18)14-8-7-9-3-1-2-4-10(9)14/h1-6H,7-8H2,(H2,16,17,18)	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	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM25173 ([5-(2,3-dihydro-1H-indol-1-ylcarbonyl)thiophen-2-y...) Show SMILES OB(O)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12 Show InChI InChI=1S/C14H12BNO4S/c17-13(15(19)20)11-5-6-12(21-11)14(18)16-8-7-9-3-1-2-4-10(9)16/h1-6,19-20H,7-8H2	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	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM25167 (5-[methyl(quinoxalin-6-ylmethyl)carbamoyl]thiophen...) Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(O)=O Show InChI InChI=1S/C16H13N3O3S/c1-19(15(20)13-4-5-14(23-13)16(21)22)9-10-2-3-11-12(8-10)18-7-6-17-11/h2-8H,9H2,1H3,(H,21,22)	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	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair