Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'rajendran' and Initial = 'p'   

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 1/11/4/6/8 (Homo sapiens (Human))	BDBM65470 (Quinolone-based HDAC inhibitor 4i) Show SMILES Cc1csc(NC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)n1 Show InChI InChI=1S/C19H20N4O4S/c1-12-11-28-19(20-12)21-18(26)14-10-23(9-5-4-8-16(24)22-27)15-7-3-2-6-13(15)17(14)25/h2-3,6-7,10-11,27H,4-5,8-9H2,1H3,(H,22,24)(H,20,21,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					More data for this Ligand-Target Pair
Histone deacetylase 1/11/4/6/8 (Homo sapiens (Human))	BDBM65471 (Quinolone-based HDAC inhibitor 4j) Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2nc3ccccc3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C22H20N4O4S/c27-19(25-30)11-5-6-12-26-13-15(20(28)14-7-1-3-9-17(14)26)21(29)24-22-23-16-8-2-4-10-18(16)31-22/h1-4,7-10,13,30H,5-6,11-12H2,(H,25,27)(H,23,24,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					More data for this Ligand-Target Pair
Histone deacetylase 1/11/4/6/8 (Homo sapiens (Human))	BDBM65478 (Quinolone-based HDAC inhibitor 4o) Show SMILES COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3cc(nn3C)-c3ccccc3)c(=O)c2c1 Show InChI InChI=1S/C26H27N5O5/c1-30-23(15-21(28-30)17-8-4-3-5-9-17)27-26(34)20-16-31(13-7-6-10-24(32)29-35)22-12-11-18(36-2)14-19(22)25(20)33/h3-5,8-9,11-12,14-16,35H,6-7,10,13H2,1-2H3,(H,27,34)(H,29,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					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 (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 (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 1/11/4/6/8 (Homo sapiens (Human))	BDBM65481 (Quinolone-based HDAC inhibitor 4r) Show SMILES COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1 Show InChI InChI=1S/C22H22FN3O5/c1-31-16-8-6-15(7-9-16)24-22(29)18-13-26(11-3-2-4-20(27)25-30)19-10-5-14(23)12-17(19)21(18)28/h5-10,12-13,30H,2-4,11H2,1H3,(H,24,29)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					More data for this Ligand-Target Pair
Histone deacetylase 1/11/4/6/8 (Homo sapiens (Human))	BDBM65479 (Quinolone-based HDAC inhibitor 4p) Show SMILES COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3nc4ccccc4s3)c(=O)c2c1 Show InChI InChI=1S/C23H22N4O5S/c1-32-14-9-10-18-15(12-14)21(29)16(13-27(18)11-5-4-8-20(28)26-31)22(30)25-23-24-17-6-2-3-7-19(17)33-23/h2-3,6-7,9-10,12-13,31H,4-5,8,11H2,1H3,(H,26,28)(H,24,25,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					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))	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 1/11/4/6/8 (Homo sapiens (Human))	BDBM65475 (Quinolone-based HDAC inhibitor 4l) Show SMILES COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3ccc(F)cc3)c(=O)c2c1 Show InChI InChI=1S/C22H22FN3O5/c1-31-16-9-10-19-17(12-16)21(28)18(13-26(19)11-3-2-4-20(27)25-30)22(29)24-15-7-5-14(23)6-8-15/h5-10,12-13,30H,2-4,11H2,1H3,(H,24,29)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					More data for this Ligand-Target Pair
Histone deacetylase 1/11/4/6/8 (Homo sapiens (Human))	BDBM65474 (Quinolone-based HDAC inhibitor 4k) Show SMILES COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3ccccc3)c(=O)c2c1 Show InChI InChI=1S/C22H23N3O5/c1-30-16-10-11-19-17(13-16)21(27)18(22(28)23-15-7-3-2-4-8-15)14-25(19)12-6-5-9-20(26)24-29/h2-4,7-8,10-11,13-14,29H,5-6,9,12H2,1H3,(H,23,28)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					More data for this Ligand-Target Pair
Histone deacetylase 1/11/4/6/8 (Homo sapiens (Human))	BDBM65458 (Quinolone-based HDAC inhibitor 4a) Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2ccccc2)c(=O)c2ccccc12 Show InChI InChI=1S/C21H21N3O4/c25-19(23-28)12-6-7-13-24-14-17(20(26)16-10-4-5-11-18(16)24)21(27)22-15-8-2-1-3-9-15/h1-5,8-11,14,28H,6-7,12-13H2,(H,22,27)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					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 1/11/4/6/8 (Homo sapiens (Human))	BDBM65485 (Quinolone-based HDAC inhibitor 4v) Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2nc3ccccc3s2)c(=O)c2cc(F)ccc12 Show InChI InChI=1S/C22H19FN4O4S/c23-13-8-9-17-14(11-13)20(29)15(12-27(17)10-4-3-7-19(28)26-31)21(30)25-22-24-16-5-1-2-6-18(16)32-22/h1-2,5-6,8-9,11-12,31H,3-4,7,10H2,(H,26,28)(H,24,25,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					More data for this Ligand-Target Pair
Histone deacetylase 1/11/4/6/8 (Homo sapiens (Human))	BDBM65463 (Quinolone-based HDAC inhibitor 4c) Show SMILES COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)cc1 Show InChI InChI=1S/C22H23N3O5/c1-30-16-11-9-15(10-12-16)23-22(28)18-14-25(13-5-4-8-20(26)24-29)19-7-3-2-6-17(19)21(18)27/h2-3,6-7,9-12,14,29H,4-5,8,13H2,1H3,(H,23,28)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					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
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 1/11/4/6/8 (Homo sapiens (Human))	BDBM65480 (Quinolone-based HDAC inhibitor 4q) Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cc(F)ccc12 Show InChI InChI=1S/C21H19F2N3O4/c22-13-4-7-15(8-5-13)24-21(29)17-12-26(10-2-1-3-19(27)25-30)18-9-6-14(23)11-16(18)20(17)28/h4-9,11-12,30H,1-3,10H2,(H,24,29)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					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
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 1/11/4/6/8 (Homo sapiens (Human))	BDBM65469 (Quinolone-based HDAC inhibitor 4h) Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2nccs2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H18N4O4S/c23-15(21-26)7-3-4-9-22-11-13(17(25)20-18-19-8-10-27-18)16(24)12-5-1-2-6-14(12)22/h1-2,5-6,8,10-11,26H,3-4,7,9H2,(H,21,23)(H,19,20,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					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 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	45	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human HDAC8				Bioorg Med Chem Lett 20: 3906-10 (2010) Article DOI: 10.1016/j.bmcl.2010.05.020 BindingDB Entry DOI: 10.7270/Q2TD9Z97
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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))	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))	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))	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))	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))	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 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 1/11/4/6/8 (Homo sapiens (Human))	BDBM65476 (Quinolone-based HDAC inhibitor 4m) Show SMILES COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(OC)cc3c2=O)cc1 Show InChI InChI=1S/C23H25N3O6/c1-31-16-8-6-15(7-9-16)24-23(29)19-14-26(12-4-3-5-21(27)25-30)20-11-10-17(32-2)13-18(20)22(19)28/h6-11,13-14,30H,3-5,12H2,1-2H3,(H,24,29)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					More data for this Ligand-Target Pair
Histone deacetylase 1/11/4/6/8 (Homo sapiens (Human))	BDBM65484 (Quinolone-based HDAC inhibitor 4u) Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2cc(F)ccc12 Show InChI InChI=1S/C20H19FN4O4/c21-13-4-5-17-15(11-13)19(27)16(20(28)23-14-6-8-22-9-7-14)12-25(17)10-2-1-3-18(26)24-29/h4-9,11-12,29H,1-3,10H2,(H,24,26)(H,22,23,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50241294 (CHEMBL240954 | SL-0101 | kaempferol 3-O-(3'',4''-d...) Show SMILES C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-29,31-32H,1-3H3/t10-,20+,21-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
NPO-International Laboratory of Biochemistry Curated by ChEMBL					Assay Description Inhibition of his-tagged active RSK2 (unknown origin) expressed in Sf9 cells after 10 to 45 mins by ELISA				Eur J Med Chem 86: 103-12 (2014) Article DOI: 10.1016/j.ejmech.2014.08.011 BindingDB Entry DOI: 10.7270/Q2MG7R51
					More data for this Ligand-Target Pair				3D Structure (docked)
Histone deacetylase 1/11/4/6/8 (Homo sapiens (Human))	BDBM65468 (Quinolone-based HDAC inhibitor 4g) Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2ccccc12 Show InChI InChI=1S/C20H20N4O4/c25-18(23-28)7-3-4-12-24-13-16(19(26)15-5-1-2-6-17(15)24)20(27)22-14-8-10-21-11-9-14/h1-2,5-6,8-11,13,28H,3-4,7,12H2,(H,23,25)(H,21,22,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					More data for this Ligand-Target Pair
Histone deacetylase 1/11/4/6/8 (Homo sapiens (Human))	BDBM65472 (Quinolone-based HDAC inhibitor 4w) Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2cc(nn2)-c2ccccc2)c(=O)c2ccccc12 Show InChI InChI=1S/C24H22N5O4/c30-22(28-33)12-6-7-13-29-15-18(23(31)17-10-4-5-11-20(17)29)24(32)25-21-14-19(26-27-21)16-8-2-1-3-9-16/h1-5,8-11,14-15,33H,6-7,12-13H2,(H,28,30)(H,25,27,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					More data for this Ligand-Target Pair
Histone deacetylase 1/11/4/6/8 (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 UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Orchid Chemicals & Pharmaceuticals Limited					Assay Description Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...				J Enzyme Inhib Med Chem 29: 555-62 (2014) Article DOI: 10.3109/14756366.2013.827675 BindingDB Entry DOI: 10.7270/Q22J6916
					More data for this Ligand-Target Pair				3D Structure (crystal)

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