Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'ponpandian' and Initial = 't'   

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 (Mus musculus (Mouse))	BDBM97707 (US8476255, 95) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCC(=O)NO)c2ccccc2Cl)cc1 Show InChI InChI=1S/C22H25ClN2O3S/c1-29-17-12-10-16(11-13-17)15-19(18-7-4-5-8-20(18)23)22(27)24-14-6-2-3-9-21(26)25-28/h4-5,7-8,10-13,15,28H,2-3,6,9,14H2,1H3,(H,24,27)(H,25,26)/b19-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97708 (US8476255, 96) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCC(=O)NO)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C23H28N2O3S/c1-17-7-11-19(12-8-17)21(16-18-9-13-20(29-2)14-10-18)23(27)24-15-5-3-4-6-22(26)25-28/h7-14,16,28H,3-6,15H2,1-2H3,(H,24,27)(H,25,26)/b21-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50143215 (CHEMBL3758457) Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97695 (US8476255, 55) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)NO)c2cccnc2)cc1 Show InChI InChI=1S/C23H21N3O3S/c1-30-20-10-6-16(7-11-20)13-21(19-3-2-12-24-15-19)23(28)25-14-17-4-8-18(9-5-17)22(27)26-29/h2-13,15,29H,14H2,1H3,(H,25,28)(H,26,27)/b21-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					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	23	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50143215 (CHEMBL3758457) Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50143215 (CHEMBL3758457) Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97698 (US8476255, 59) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)NO)c2ccsc2)cc1 Show InChI InChI=1S/C22H20N2O3S2/c1-28-19-8-4-15(5-9-19)12-20(18-10-11-29-14-18)22(26)23-13-16-2-6-17(7-3-16)21(25)24-27/h2-12,14,27H,13H2,1H3,(H,23,26)(H,24,25)/b20-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97703 (US8476255, 89) Show SMILES ONC(=O)CCCCCNC(=O)C(=C\c1c(F)cc(F)cc1F)\c1ccc(F)cc1 Show InChI InChI=1S/C21H20F4N2O3/c22-14-7-5-13(6-8-14)16(12-17-18(24)10-15(23)11-19(17)25)21(29)26-9-3-1-2-4-20(28)27-30/h5-8,10-12,30H,1-4,9H2,(H,26,29)(H,27,28)/b16-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97685 (US8476255, 28) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccccc2F)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-16-13-21(18-29(28)39-2)17-24(23-7-3-4-8-25(23)32)31(37)34-19-20-11-14-22(15-12-20)30(36)35-27-10-6-5-9-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b24-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
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	38	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97694 (US8476255, 53) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)NO)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H21FN2O4/c1-31-21-12-4-16(5-13-21)14-22(18-8-10-20(25)11-9-18)24(29)26-15-17-2-6-19(7-3-17)23(28)27-30/h2-14,30H,15H2,1H3,(H,26,29)(H,27,28)/b22-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97697 (US8476255, 58) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)NO)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C25H24N2O3S/c1-17-3-9-20(10-4-17)23(15-18-7-13-22(31-2)14-8-18)25(29)26-16-19-5-11-21(12-6-19)24(28)27-30/h3-15,30H,16H2,1-2H3,(H,26,29)(H,27,28)/b23-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97706 (US8476255, 94) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCC(=O)NO)c2ccccc2F)cc1 Show InChI InChI=1S/C22H25FN2O3S/c1-29-17-12-10-16(11-13-17)15-19(18-7-4-5-8-20(18)23)22(27)24-14-6-2-3-9-21(26)25-28/h4-5,7-8,10-13,15,28H,2-3,6,9,14H2,1H3,(H,24,27)(H,25,26)/b19-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97704 (US8476255, 90) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCC(=O)NO)c2ccsc2)cc1 Show InChI InChI=1S/C20H24N2O3S2/c1-26-17-8-6-15(7-9-17)13-18(16-10-12-27-14-16)20(24)21-11-4-2-3-5-19(23)22-25/h6-10,12-14,25H,2-5,11H2,1H3,(H,21,24)(H,22,23)/b18-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50143215 (CHEMBL3758457) Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97680 (US8476255, 19) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccc(F)cc2)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-16-9-21(18-29(28)39-2)17-25(22-12-14-24(32)15-13-22)31(37)34-19-20-7-10-23(11-8-20)30(36)35-27-6-4-3-5-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b25-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					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	43	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97684 (US8476255, 27) Show SMILES COc1ccc(cc1)C(=C/c1ccc(OC)c(OC)c1)\C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C32H31N3O5/c1-38-25-15-13-23(14-16-25)26(18-22-10-17-29(39-2)30(19-22)40-3)32(37)34-20-21-8-11-24(12-9-21)31(36)35-28-7-5-4-6-27(28)33/h4-19H,20,33H2,1-3H3,(H,34,37)(H,35,36)/b26-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97700 (US8476255, 77) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(\C=C\C(=O)NO)cc2)c2ccc(F)cc2)cc1OC Show InChI InChI=1S/C27H25FN2O5/c1-34-24-13-7-20(16-25(24)35-2)15-23(21-9-11-22(28)12-10-21)27(32)29-17-19-5-3-18(4-6-19)8-14-26(31)30-33/h3-16,33H,17H2,1-2H3,(H,29,32)(H,30,31)/b14-8+,23-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97688 (US8476255, 32) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2cccc(F)c2)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-15-12-21(17-29(28)39-2)16-25(23-6-5-7-24(32)18-23)31(37)34-19-20-10-13-22(14-11-20)30(36)35-27-9-4-3-8-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b25-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97687 (US8476255, 31) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccccc2)cc1OC Show InChI InChI=1S/C31H29N3O4/c1-37-28-17-14-22(19-29(28)38-2)18-25(23-8-4-3-5-9-23)31(36)33-20-21-12-15-24(16-13-21)30(35)34-27-11-7-6-10-26(27)32/h3-19H,20,32H2,1-2H3,(H,33,36)(H,34,35)/b25-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50143215 (CHEMBL3758457) Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-	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	54	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97686 (US8476255, 29) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccc(C)cc2)cc1OC Show InChI InChI=1S/C32H31N3O4/c1-21-8-13-24(14-9-21)26(18-23-12-17-29(38-2)30(19-23)39-3)32(37)34-20-22-10-15-25(16-11-22)31(36)35-28-7-5-4-6-27(28)33/h4-19H,20,33H2,1-3H3,(H,34,37)(H,35,36)/b26-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97701 (US8476255, 84) Show SMILES CSc1ccc(\C=C(\C(=O)NCCCCCCC(=O)NO)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C23H27FN2O3S/c1-30-20-13-7-17(8-14-20)16-21(18-9-11-19(24)12-10-18)23(28)25-15-5-3-2-4-6-22(27)26-29/h7-14,16,29H,2-6,15H2,1H3,(H,25,28)(H,26,27)/b21-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97693 (US8476255, 52) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)NO)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H21FN2O3S/c1-31-21-12-4-16(5-13-21)14-22(18-8-10-20(25)11-9-18)24(29)26-15-17-2-6-19(7-3-17)23(28)27-30/h2-14,30H,15H2,1H3,(H,26,29)(H,27,28)/b22-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97699 (BOC-LYS(AC)-AMC | US8476255, 76) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(\C=C\C(=O)NO)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H23FN2O3S/c1-33-23-13-6-19(7-14-23)16-24(21-9-11-22(27)12-10-21)26(31)28-17-20-4-2-18(3-5-20)8-15-25(30)29-32/h2-16,32H,17H2,1H3,(H,28,31)(H,29,30)/b15-8+,24-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97683 (US8476255, 24) Show SMILES CSc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccccc2F)cc1 Show InChI InChI=1S/C30H26FN3O2S/c1-37-23-16-12-20(13-17-23)18-25(24-6-2-3-7-26(24)31)30(36)33-19-21-10-14-22(15-11-21)29(35)34-28-9-5-4-8-27(28)32/h2-18H,19,32H2,1H3,(H,33,36)(H,34,35)/b25-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97709 (US8476255, 101) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)C(=C\c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C22H25N3O4/c26-20(25-29)14-8-3-9-15-23-22(28)24-21(27)19(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,16,29H,3,8-9,14-15H2,(H,25,26)(H2,23,24,27,28)/b19-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97696 (US8476255, 57) Show SMILES COc1ccc(cc1)C(=C/c1ccc(SC)cc1)\C(=O)NCc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H24N2O4S/c1-31-21-11-9-19(10-12-21)23(15-17-5-13-22(32-2)14-6-17)25(29)26-16-18-3-7-20(8-4-18)24(28)27-30/h3-15,30H,16H2,1-2H3,(H,26,29)(H,27,28)/b23-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
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	118	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	119	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97681 (US8476255, 20) Show SMILES COc1cc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccc(F)cc2)ccc1F Show InChI InChI=1S/C30H25F2N3O3/c1-38-28-17-20(8-15-25(28)32)16-24(21-11-13-23(31)14-12-21)30(37)34-18-19-6-9-22(10-7-19)29(36)35-27-5-3-2-4-26(27)33/h2-17H,18,33H2,1H3,(H,34,37)(H,35,36)/b24-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97705 (US8476255, 92) Show SMILES COc1ccc(cc1)C(=C/c1ccc(SC)cc1)\C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C23H28N2O4S/c1-29-19-11-9-18(10-12-19)21(16-17-7-13-20(30-2)14-8-17)23(27)24-15-5-3-4-6-22(26)25-28/h7-14,16,28H,3-6,15H2,1-2H3,(H,24,27)(H,25,26)/b21-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50143215 (CHEMBL3758457) Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	319	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC4 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97692 (US8476255, 49) Show SMILES COc1ccc(cc1)C(=C/c1ccc(F)cc1)\C(=O)NCc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C24H21FN2O4/c1-31-21-12-8-18(9-13-21)22(14-16-4-10-20(25)11-5-16)24(29)26-15-17-2-6-19(7-3-17)23(28)27-30/h2-14,30H,15H2,1H3,(H,26,29)(H,27,28)/b22-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50143215 (CHEMBL3758457) Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	354	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC5 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97702 (US8476255, 85) Show SMILES ONC(=O)CCCCCCNC(=O)C(=C/c1ccccc1)\c1ccccc1 Show InChI InChI=1S/C22H26N2O3/c25-21(24-27)15-9-1-2-10-16-23-22(26)20(19-13-7-4-8-14-19)17-18-11-5-3-6-12-18/h3-8,11-14,17,27H,1-2,9-10,15-16H2,(H,23,26)(H,24,25)/b20-17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50143215 (CHEMBL3758457) Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	927	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC9 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50143215 (CHEMBL3758457) Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-	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
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC7 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97682 (US8476255, 22) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)C(=C\c2ccnc3ccccc23)\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C32H25FN4O2/c33-25-15-13-22(14-16-25)27(19-24-17-18-35-29-7-3-1-5-26(24)29)32(39)36-20-21-9-11-23(12-10-21)31(38)37-30-8-4-2-6-28(30)34/h1-19H,20,34H2,(H,36,39)(H,37,38)/b27-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97679 (US8476255, 15) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)C(=C\c2ccncc2)\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H23FN4O2/c29-23-11-9-21(10-12-23)24(17-19-13-15-31-16-14-19)28(35)32-18-20-5-7-22(8-6-20)27(34)33-26-4-2-1-3-25(26)30/h1-17H,18,30H2,(H,32,35)(H,33,34)/b24-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97688 (US8476255, 32) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2cccc(F)c2)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-15-12-21(17-29(28)39-2)16-25(23-6-5-7-24(32)18-23)31(37)34-19-20-10-13-22(14-11-20)30(36)35-27-9-4-3-8-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b25-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97691 (US8476255, 37) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2cccs2)cc1OC Show InChI InChI=1S/C29H27N3O4S/c1-35-25-14-11-20(17-26(25)36-2)16-22(27-8-5-15-37-27)29(34)31-18-19-9-12-21(13-10-19)28(33)32-24-7-4-3-6-23(24)30/h3-17H,18,30H2,1-2H3,(H,31,34)(H,32,33)/b22-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97689 (US8476255, 33) Show SMILES COC(=O)c1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C31H26ClN3O4/c1-39-31(38)23-15-9-20(10-16-23)17-26(24-5-4-6-25(32)18-24)30(37)34-19-21-11-13-22(14-12-21)29(36)35-28-8-3-2-7-27(28)33/h2-18H,19,33H2,1H3,(H,34,37)(H,35,36)/b26-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97687 (US8476255, 31) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccccc2)cc1OC Show InChI InChI=1S/C31H29N3O4/c1-37-28-17-14-22(19-29(28)38-2)18-25(23-8-4-3-5-9-23)31(36)33-20-21-12-15-24(16-13-21)30(35)34-27-11-7-6-10-26(27)32/h3-19H,20,32H2,1-2H3,(H,33,36)(H,34,35)/b25-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97680 (US8476255, 19) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccc(F)cc2)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-16-9-21(18-29(28)39-2)17-25(22-12-14-24(32)15-13-22)31(37)34-19-20-7-10-23(11-8-20)30(36)35-27-6-4-3-5-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b25-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50143215 (CHEMBL3758457) Show SMILES ONC(=O)\C=C\c1ccc(\C=C(\CNC2CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H21FN2O2/c22-19-8-6-17(7-9-19)18(14-23-20-10-11-20)13-16-3-1-15(2-4-16)5-12-21(25)24-26/h1-9,12-13,20,23,26H,10-11,14H2,(H,24,25)/b12-5+,18-13-	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	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals& Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Eur J Med Chem 108: 274-86 (2016) Article DOI: 10.1016/j.ejmech.2015.11.014 BindingDB Entry DOI: 10.7270/Q2J9687D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Mus musculus (Mouse))	BDBM97685 (US8476255, 28) Show SMILES COc1ccc(\C=C(\C(=O)NCc2ccc(cc2)C(=O)Nc2ccccc2N)c2ccccc2F)cc1OC Show InChI InChI=1S/C31H28FN3O4/c1-38-28-16-13-21(18-29(28)39-2)17-24(23-7-3-4-8-25(23)32)31(37)34-19-20-11-14-22(15-12-20)30(36)35-27-10-6-5-9-26(27)33/h3-18H,19,33H2,1-2H3,(H,34,37)(H,35,36)/b24-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	37
Orchid Chemicals & Pharmaceuticals Limited US Patent					Assay Description Histone Deacetylase (HDAC) inhibition assay using Boc-Lys (Ac)-AMC substrate. The fluorometric assay provides a fast and fluorescence based method t...				US Patent US8476255 (2013) BindingDB Entry DOI: 10.7270/Q27S7MCR
					More data for this Ligand-Target Pair

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