Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'islam' and Initial = 'ms'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50051031 (CHEMBL2158745) Show SMILES [H][C@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)[C@@H](C)CC |r| Show InChI InChI=1S/C29H43N5O7/c1-4-18(2)25-29(39)34-16-8-10-23(34)28(38)30-21(9-6-5-7-11-24(35)33-40)26(36)31-22(27(37)32-25)17-19-12-14-20(41-3)15-13-19/h12-15,18,21-23,25,40H,4-11,16-17H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,33,35)/t18-,21-,22+,23+,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50048864 (CHEMBL3310505) Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.625	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50048864 (CHEMBL3310505) Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50051031 (CHEMBL2158745) Show SMILES [H][C@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)[C@@H](C)CC |r| Show InChI InChI=1S/C29H43N5O7/c1-4-18(2)25-29(39)34-16-8-10-23(34)28(38)30-21(9-6-5-7-11-24(35)33-40)26(36)31-22(27(37)32-25)17-19-12-14-20(41-3)15-13-19/h12-15,18,21-23,25,40H,4-11,16-17H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,33,35)/t18-,21-,22+,23+,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50048860 (CHEMBL3310508) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C28H40N4O4S2/c33-25-22-14-7-3-9-18-38-37-17-8-2-6-13-21(29-25)26(34)31-23(19-20-11-4-1-5-12-20)28(36)32-16-10-15-24(32)27(35)30-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2,(H,29,33)(H,30,35)(H,31,34)/t21-,22+,23+,24-/m1/s1	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50048860 (CHEMBL3310508) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C28H40N4O4S2/c33-25-22-14-7-3-9-18-38-37-17-8-2-6-13-21(29-25)26(34)31-23(19-20-11-4-1-5-12-20)28(36)32-16-10-15-24(32)27(35)30-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2,(H,29,33)(H,30,35)(H,31,34)/t21-,22+,23+,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50309930 (6-((1S,7R,10S,13R)-2,8,11,25-Tetraoxo-3,9,12,24-te...) Show SMILES ONC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCCCCCCCC[C@@H](NC1=O)C(=O)N2 |r| Show InChI InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-14-20-24(34)28-19-13-8-5-3-1-2-4-6-9-15-21(30-25(19)35)27(37)32-18-12-16-22(32)26(36)29-20/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50048859 (CHEMBL3310507) Show SMILES [H][C@]12CCCN1C(=O)[C@@H](NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1)C(C)C |r| Show InChI InChI=1S/C24H40N4O4S2/c1-16(2)20-24(32)28-13-9-12-19(28)23(31)26-17-10-5-3-7-14-33-34-15-8-4-6-11-18(22(30)27-20)25-21(17)29/h16-20H,3-15H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)/t17-,18+,19+,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50048859 (CHEMBL3310507) Show SMILES [H][C@]12CCCN1C(=O)[C@@H](NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1)C(C)C |r| Show InChI InChI=1S/C24H40N4O4S2/c1-16(2)20-24(32)28-13-9-12-19(28)23(31)26-17-10-5-3-7-14-33-34-15-8-4-6-11-18(22(30)27-20)25-21(17)29/h16-20H,3-15H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)/t17-,18+,19+,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50309930 (6-((1S,7R,10S,13R)-2,8,11,25-Tetraoxo-3,9,12,24-te...) Show SMILES ONC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCCCCCCCC[C@@H](NC1=O)C(=O)N2 |r| Show InChI InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-14-20-24(34)28-19-13-8-5-3-1-2-4-6-9-15-21(30-25(19)35)27(37)32-18-12-16-22(32)26(36)29-20/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50048862 (CHEMBL3310510) Show SMILES [H][C@]12CCCN1C(=O)[C@@H](NC(=O)[C@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1)C(C)C |r| Show InChI InChI=1S/C24H40N4O4S2/c1-16(2)20-24(32)28-13-9-12-19(28)23(31)26-17-10-5-3-7-14-33-34-15-8-4-6-11-18(22(30)27-20)25-21(17)29/h16-20H,3-15H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)/t17-,18-,19+,20-/m0/s1	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	9.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50048858 (CHEMBL3310506) Show SMILES [H][C@]12CCCN1C(=O)[C@H](C)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C22H36N4O4S2/c1-15-22(30)26-12-8-11-18(26)21(29)25-17-10-5-3-7-14-32-31-13-6-2-4-9-16(19(27)23-15)24-20(17)28/h15-18H,2-14H2,1H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16+,17-,18+/m0/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50048861 (CHEMBL3310509) Show SMILES [H][C@]12CCCN1C(=O)[C@H](C)NC(=O)[C@@]1([H])CCOCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C21H34N4O5S2/c1-14-21(29)25-9-5-7-17(25)20(28)24-15-6-3-2-4-12-31-32-13-11-30-10-8-16(18(26)22-14)23-19(15)27/h14-17H,2-13H2,1H3,(H,22,26)(H,23,27)(H,24,28)/t14-,15-,16+,17+/m0/s1	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	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50309933 (6-((5S,8R,11S,13aR)-4,7,10,13-Tetraoxo-5,8-dipenty...) Show SMILES CCCCC[C@H]1NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCC)NC1=O |r| Show InChI InChI=1S/C27H47N5O6/c1-3-5-8-13-19-25(35)30-21(15-9-6-4-2)27(37)32-18-12-16-22(32)26(36)29-20(24(34)28-19)14-10-7-11-17-23(33)31-38/h19-22,38H,3-18H2,1-2H3,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50048858 (CHEMBL3310506) Show SMILES [H][C@]12CCCN1C(=O)[C@H](C)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C22H36N4O4S2/c1-15-22(30)26-12-8-11-18(26)21(29)25-17-10-5-3-7-14-32-31-13-6-2-4-9-16(19(27)23-15)24-20(17)28/h15-18H,2-14H2,1H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16+,17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50051031 (CHEMBL2158745) Show SMILES [H][C@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)[C@@H](C)CC |r| Show InChI InChI=1S/C29H43N5O7/c1-4-18(2)25-29(39)34-16-8-10-23(34)28(38)30-21(9-6-5-7-11-24(35)33-40)26(36)31-22(27(37)32-25)17-19-12-14-20(41-3)15-13-19/h12-15,18,21-23,25,40H,4-11,16-17H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,33,35)/t18-,21-,22+,23+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50048862 (CHEMBL3310510) Show SMILES [H][C@]12CCCN1C(=O)[C@@H](NC(=O)[C@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1)C(C)C |r| Show InChI InChI=1S/C24H40N4O4S2/c1-16(2)20-24(32)28-13-9-12-19(28)23(31)26-17-10-5-3-7-14-33-34-15-8-4-6-11-18(22(30)27-20)25-21(17)29/h16-20H,3-15H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)/t17-,18-,19+,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50051035 (CHEMBL3309858) Show SMILES [H][C@]12CCCN1C(=O)[C@H](CCCCC)NC(=O)[C@H](CCCCC)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O |r| Show InChI InChI=1S/C27H47N5O6/c1-3-5-8-13-19-25(35)30-21(15-9-6-4-2)27(37)32-18-12-16-22(32)26(36)29-20(24(34)28-19)14-10-7-11-17-23(33)31-38/h19-22,38H,3-18H2,1-2H3,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20-,21-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50048861 (CHEMBL3310509) Show SMILES [H][C@]12CCCN1C(=O)[C@H](C)NC(=O)[C@@]1([H])CCOCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C21H34N4O5S2/c1-14-21(29)25-9-5-7-17(25)20(28)24-15-6-3-2-4-12-31-32-13-11-30-10-8-16(18(26)22-14)23-19(15)27/h14-17H,2-13H2,1H3,(H,22,26)(H,23,27)(H,24,28)/t14-,15-,16+,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50051033 (CHEMBL3309856) Show SMILES [H][C@]12CCCN1C(=O)[C@]1([H])CCCCCCCCCC[C@]([H])(NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-14-20-24(34)28-19-13-8-5-3-1-2-4-6-9-15-21(30-25(19)35)27(37)32-18-12-16-22(32)26(36)29-20/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20-,21-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50051034 (CHEMBL3309857) Show SMILES [H][C@]12CCCN1C(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@@]1([H])CCCCCCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-15-21-27(37)32-18-12-16-22(32)26(36)29-20-14-9-6-4-2-1-3-5-8-13-19(25(35)30-21)28-24(20)34/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50309933 (6-((5S,8R,11S,13aR)-4,7,10,13-Tetraoxo-5,8-dipenty...) Show SMILES CCCCC[C@H]1NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCC)NC1=O |r| Show InChI InChI=1S/C27H47N5O6/c1-3-5-8-13-19-25(35)30-21(15-9-6-4-2)27(37)32-18-12-16-22(32)26(36)29-20(24(34)28-19)14-10-7-11-17-23(33)31-38/h19-22,38H,3-18H2,1-2H3,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50051033 (CHEMBL3309856) Show SMILES [H][C@]12CCCN1C(=O)[C@]1([H])CCCCCCCCCC[C@]([H])(NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-14-20-24(34)28-19-13-8-5-3-1-2-4-6-9-15-21(30-25(19)35)27(37)32-18-12-16-22(32)26(36)29-20/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20-,21-,22+/m0/s1	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	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50048863 (CHEMBL3310511) Show SMILES [H][C@]12Cc3ccccc3CN1C(=O)[C@]1([H])CCCCCSSCCCCC[C@@]([H])(NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N1 |r| Show InChI InChI=1S/C29H42N4O4S2/c1-19(2)25-28(36)30-22-13-5-3-9-15-38-39-16-10-4-6-14-23(31-26(22)34)29(37)33-18-21-12-8-7-11-20(21)17-24(33)27(35)32-25/h7-8,11-12,19,22-25H,3-6,9-10,13-18H2,1-2H3,(H,30,36)(H,31,34)(H,32,35)/t22-,23+,24-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50051032 (CHEMBL3309855) Show SMILES [H][C@]12CCCN1C(=O)[C@]1([H])CCOCCCCOCC[C@@]([H])(NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C25H41N5O8/c31-21(29-36)9-3-1-2-7-17-22(32)26-18-10-15-37-13-4-5-14-38-16-11-19(28-23(18)33)25(35)30-12-6-8-20(30)24(34)27-17/h17-20,36H,1-16H2,(H,26,32)(H,27,34)(H,28,33)(H,29,31)/t17-,18+,19-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50051034 (CHEMBL3309857) Show SMILES [H][C@]12CCCN1C(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@@]1([H])CCCCCCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-15-21-27(37)32-18-12-16-22(32)26(36)29-20-14-9-6-4-2-1-3-5-8-13-19(25(35)30-21)28-24(20)34/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50048863 (CHEMBL3310511) Show SMILES [H][C@]12Cc3ccccc3CN1C(=O)[C@]1([H])CCCCCSSCCCCC[C@@]([H])(NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N1 |r| Show InChI InChI=1S/C29H42N4O4S2/c1-19(2)25-28(36)30-22-13-5-3-9-15-38-39-16-10-4-6-14-23(31-26(22)34)29(37)33-18-21-12-8-7-11-20(21)17-24(33)27(35)32-25/h7-8,11-12,19,22-25H,3-6,9-10,13-18H2,1-2H3,(H,30,36)(H,31,34)(H,32,35)/t22-,23+,24-,25+/m1/s1	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	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50051035 (CHEMBL3309858) Show SMILES [H][C@]12CCCN1C(=O)[C@H](CCCCC)NC(=O)[C@H](CCCCC)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O |r| Show InChI InChI=1S/C27H47N5O6/c1-3-5-8-13-19-25(35)30-21(15-9-6-4-2)27(37)32-18-12-16-22(32)26(36)29-20(24(34)28-19)14-10-7-11-17-23(33)31-38/h19-22,38H,3-18H2,1-2H3,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20-,21-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50051032 (CHEMBL3309855) Show SMILES [H][C@]12CCCN1C(=O)[C@]1([H])CCOCCCCOCC[C@@]([H])(NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C25H41N5O8/c31-21(29-36)9-3-1-2-7-17-22(32)26-18-10-15-37-13-4-5-14-38-16-11-19(28-23(18)33)25(35)30-12-6-8-20(30)24(34)27-17/h17-20,36H,1-16H2,(H,26,32)(H,27,34)(H,28,33)(H,29,31)/t17-,18+,19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50051036 (CHEMBL3356087) Show SMILES [H][C@]12CCCN1C(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@@H](CCCCC)NC(=O)[C@H](CCCCC)NC2=O |r| Show InChI InChI=1S/C27H47N5O6/c1-3-5-8-13-19-25(35)30-21(15-10-7-11-17-23(33)31-38)27(37)32-18-12-16-22(32)26(36)29-20(24(34)28-19)14-9-6-4-2/h19-22,38H,3-18H2,1-2H3,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50051036 (CHEMBL3356087) Show SMILES [H][C@]12CCCN1C(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@@H](CCCCC)NC(=O)[C@H](CCCCC)NC2=O |r| Show InChI InChI=1S/C27H47N5O6/c1-3-5-8-13-19-25(35)30-21(15-10-7-11-17-23(33)31-38)27(37)32-18-12-16-22(32)26(36)29-20(24(34)28-19)14-9-6-4-2/h19-22,38H,3-18H2,1-2H3,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Mus musculus)	BDBM50048862 (CHEMBL3310510) Show SMILES [H][C@]12CCCN1C(=O)[C@@H](NC(=O)[C@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1)C(C)C |r| Show InChI InChI=1S/C24H40N4O4S2/c1-16(2)20-24(32)28-13-9-12-19(28)23(31)26-17-10-5-3-7-14-33-34-15-8-4-6-11-18(22(30)27-20)25-21(17)29/h16-20H,3-15H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)/t17-,18-,19+,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50048858 (CHEMBL3310506) Show SMILES [H][C@]12CCCN1C(=O)[C@H](C)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C22H36N4O4S2/c1-15-22(30)26-12-8-11-18(26)21(29)25-17-10-5-3-7-14-32-31-13-6-2-4-9-16(19(27)23-15)24-20(17)28/h15-18H,2-14H2,1H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16+,17-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50048858 (CHEMBL3310506) Show SMILES [H][C@]12CCCN1C(=O)[C@H](C)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C22H36N4O4S2/c1-15-22(30)26-12-8-11-18(26)21(29)25-17-10-5-3-7-14-32-31-13-6-2-4-9-16(19(27)23-15)24-20(17)28/h15-18H,2-14H2,1H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16+,17-,18+/m0/s1	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	>100	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50048858 (CHEMBL3310506) Show SMILES [H][C@]12CCCN1C(=O)[C@H](C)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C22H36N4O4S2/c1-15-22(30)26-12-8-11-18(26)21(29)25-17-10-5-3-7-14-32-31-13-6-2-4-9-16(19(27)23-15)24-20(17)28/h15-18H,2-14H2,1H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16+,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50051035 (CHEMBL3309858) Show SMILES [H][C@]12CCCN1C(=O)[C@H](CCCCC)NC(=O)[C@H](CCCCC)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O |r| Show InChI InChI=1S/C27H47N5O6/c1-3-5-8-13-19-25(35)30-21(15-9-6-4-2)27(37)32-18-12-16-22(32)26(36)29-20(24(34)28-19)14-10-7-11-17-23(33)31-38/h19-22,38H,3-18H2,1-2H3,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50051033 (CHEMBL3309856) Show SMILES [H][C@]12CCCN1C(=O)[C@]1([H])CCCCCCCCCC[C@]([H])(NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-14-20-24(34)28-19-13-8-5-3-1-2-4-6-9-15-21(30-25(19)35)27(37)32-18-12-16-22(32)26(36)29-20/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20-,21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50051032 (CHEMBL3309855) Show SMILES [H][C@]12CCCN1C(=O)[C@]1([H])CCOCCCCOCC[C@@]([H])(NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C25H41N5O8/c31-21(29-36)9-3-1-2-7-17-22(32)26-18-10-15-37-13-4-5-14-38-16-11-19(28-23(18)33)25(35)30-12-6-8-20(30)24(34)27-17/h17-20,36H,1-16H2,(H,26,32)(H,27,34)(H,28,33)(H,29,31)/t17-,18+,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50048861 (CHEMBL3310509) Show SMILES [H][C@]12CCCN1C(=O)[C@H](C)NC(=O)[C@@]1([H])CCOCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C21H34N4O5S2/c1-14-21(29)25-9-5-7-17(25)20(28)24-15-6-3-2-4-12-31-32-13-11-30-10-8-16(18(26)22-14)23-19(15)27/h14-17H,2-13H2,1H3,(H,22,26)(H,23,27)(H,24,28)/t14-,15-,16+,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50309933 (6-((5S,8R,11S,13aR)-4,7,10,13-Tetraoxo-5,8-dipenty...) Show SMILES CCCCC[C@H]1NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCC)NC1=O |r| Show InChI InChI=1S/C27H47N5O6/c1-3-5-8-13-19-25(35)30-21(15-9-6-4-2)27(37)32-18-12-16-22(32)26(36)29-20(24(34)28-19)14-10-7-11-17-23(33)31-38/h19-22,38H,3-18H2,1-2H3,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50309930 (6-((1S,7R,10S,13R)-2,8,11,25-Tetraoxo-3,9,12,24-te...) Show SMILES ONC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCCCCCCCC[C@@H](NC1=O)C(=O)N2 |r| Show InChI InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-14-20-24(34)28-19-13-8-5-3-1-2-4-6-9-15-21(30-25(19)35)27(37)32-18-12-16-22(32)26(36)29-20/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50051034 (CHEMBL3309857) Show SMILES [H][C@]12CCCN1C(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@@]1([H])CCCCCCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-15-21-27(37)32-18-12-16-22(32)26(36)29-20-14-9-6-4-2-1-3-5-8-13-19(25(35)30-21)28-24(20)34/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50051036 (CHEMBL3356087) Show SMILES [H][C@]12CCCN1C(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@@H](CCCCC)NC(=O)[C@H](CCCCC)NC2=O |r| Show InChI InChI=1S/C27H47N5O6/c1-3-5-8-13-19-25(35)30-21(15-10-7-11-17-23(33)31-38)27(37)32-18-12-16-22(32)26(36)29-20(24(34)28-19)14-9-6-4-2/h19-22,38H,3-18H2,1-2H3,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20+,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...				Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50048863 (CHEMBL3310511) Show SMILES [H][C@]12Cc3ccccc3CN1C(=O)[C@]1([H])CCCCCSSCCCCC[C@@]([H])(NC(=O)[C@@H](NC2=O)C(C)C)C(=O)N1 |r| Show InChI InChI=1S/C29H42N4O4S2/c1-19(2)25-28(36)30-22-13-5-3-9-15-38-39-16-10-4-6-14-23(31-26(22)34)29(37)33-18-21-12-8-7-11-20(21)17-24(33)27(35)32-25/h7-8,11-12,19,22-25H,3-6,9-10,13-18H2,1-2H3,(H,30,36)(H,31,34)(H,32,35)/t22-,23+,24-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50048858 (CHEMBL3310506) Show SMILES [H][C@]12CCCN1C(=O)[C@H](C)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C22H36N4O4S2/c1-15-22(30)26-12-8-11-18(26)21(29)25-17-10-5-3-7-14-32-31-13-6-2-4-9-16(19(27)23-15)24-20(17)28/h15-18H,2-14H2,1H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16+,17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50048860 (CHEMBL3310508) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C28H40N4O4S2/c33-25-22-14-7-3-9-18-38-37-17-8-2-6-13-21(29-25)26(34)31-23(19-20-11-4-1-5-12-20)28(36)32-16-10-15-24(32)27(35)30-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2,(H,29,33)(H,30,35)(H,31,34)/t21-,22+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50048859 (CHEMBL3310507) Show SMILES [H][C@]12CCCN1C(=O)[C@@H](NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1)C(C)C |r| Show InChI InChI=1S/C24H40N4O4S2/c1-16(2)20-24(32)28-13-9-12-19(28)23(31)26-17-10-5-3-7-14-33-34-15-8-4-6-11-18(22(30)27-20)25-21(17)29/h16-20H,3-15H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)/t17-,18+,19+,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair

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