Compile Data Set for Download or QSAR

Found 236 hits with Last Name = 'fathi' and Initial = 's'   

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 6 (Homo sapiens (Human))	BDBM50499349 (CHEMBL4299370) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@](O)(CN(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@H](C)O1)O[C@@H]1[C@H](C)[C@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(C[C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@](C)(O)[C@H](CC)OC(=O)[C@H]1C)OC |r| Show InChI InChI=1S/C56H94N6O15/c1-16-43-55(10,68)49(66)35(4)46(64)33(2)28-53(8,71-14)50(77-52-47(65)42(60(11)12)27-34(3)73-52)36(5)48(37(6)51(67)75-43)76-45-29-54(9,72-15)56(69,38(7)74-45)32-61(13)30-39-22-24-40(25-23-39)41-31-62(59-57-41)26-20-18-17-19-21-44(63)58-70/h22-25,31,33-38,42-43,45,47-50,52,65-66,68-70H,16-21,26-30,32H2,1-15H3,(H,58,63)/t33-,34+,35+,36-,37-,38-,42-,43-,45-,47+,48+,49+,50-,52-,53-,54+,55-,56-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499361 (CHEMBL4299435) Show SMILES [H][C@]1(C[C@](C)(OC)[C@H](O)[C@@H](C)O1)O[C@H]1[C@@H](C)[C@@H](O[C@@]2([H])O[C@@H](C)C[C@H]([C@@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC |r| Show InChI InChI=1S/C52H85N5O15/c1-14-39-52(10,64)45(61)31(4)42(59)29(2)25-51(9,67-13)47(32(5)44(33(6)48(63)70-39)71-41-26-50(8,66-12)46(62)34(7)69-41)72-49-43(60)38(24-30(3)68-49)56(11)27-35-19-21-36(22-20-35)37-28-57(55-53-37)23-17-15-16-18-40(58)54-65/h19-22,28-34,38-39,41,43-47,49,60-62,64-65H,14-18,23-27H2,1-13H3,(H,54,58)/t29-,30+,31+,32-,33-,34-,38-,39-,41-,43+,44+,45+,46-,47-,49-,50+,51-,52-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499346 (CHEMBL3736314) Show SMILES [H][C@]12[C@@H](C)C3=NCCN1C(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)Cc1cccc(c1)-c1cn(CCCCCCC(=O)NO)nn1)[C@](C)(C[C@H]3C)OC |r,c:4| Show InChI InChI=1S/C48H73N7O11/c1-11-37-48(8)42-30(4)39(49-20-22-55(42)46(60)66-48)28(2)25-47(7,62-10)43(31(5)40(57)32(6)44(59)64-37)65-45-41(58)36(23-29(3)63-45)53(9)26-33-17-16-18-34(24-33)35-27-54(52-50-35)21-15-13-12-14-19-38(56)51-61/h16-18,24,27-32,36-37,41-43,45,58,61H,11-15,19-23,25-26H2,1-10H3,(H,51,56)/t28-,29-,30+,31+,32-,36+,37-,41-,42-,43-,45+,47+,48-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499327 (CHEMBL4299447) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@@H](C)N(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)C[C@@H](C)C[C@@](C)(O)[C@@]([H])(O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)C)[C@@H]1C |r| Show InChI InChI=1S/C53H90N6O14/c1-14-41-53(10,66)46(62)35(6)58(29-37-20-22-38(23-21-37)39-30-59(56-54-39)24-18-16-15-17-19-42(60)55-67)28-31(2)26-51(8,65)48(73-50-44(61)40(57(11)12)25-32(3)69-50)33(4)45(34(5)49(64)71-41)72-43-27-52(9,68-13)47(63)36(7)70-43/h20-23,30-36,40-41,43-48,50,61-63,65-67H,14-19,24-29H2,1-13H3,(H,55,60)/t31-,32-,33+,34-,35+,36-,40+,41-,43-,44-,45+,46-,47-,48-,50+,51+,52+,53-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209796 (CHEMBL3885011) Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)c2ccc(OC)cc12 Show InChI InChI=1S/C30H37N5O5/c1-21-25(18-30(37)40-3)26-17-24(39-2)14-15-28(26)35(21)19-22-10-12-23(13-11-22)27-20-34(33-31-27)16-8-6-4-5-7-9-29(36)32-38/h10-15,17,20,38H,4-9,16,18-19H2,1-3H3,(H,32,36)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499350 (CHEMBL4299426) Show SMILES [H][C@]1(C[C@](C)(OC)[C@@](O)(CN(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@@H](C)O1)O[C@H]1[C@@H](C)[C@@H](O[C@@]2([H])O[C@@H](C)C[C@H]([C@@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC |r| Show InChI InChI=1S/C55H92N6O15/c1-16-42-54(10,67)48(65)34(4)45(63)32(2)27-52(8,70-14)49(76-51-46(64)41(59(11)12)26-33(3)72-51)35(5)47(36(6)50(66)74-42)75-44-28-53(9,71-15)55(68,37(7)73-44)31-60(13)29-38-21-23-39(24-22-38)40-30-61(58-56-40)25-19-17-18-20-43(62)57-69/h21-24,30,32-37,41-42,44,46-49,51,64-65,67-69H,16-20,25-29,31H2,1-15H3,(H,57,62)/t32-,33+,34+,35-,36-,37-,41-,42-,44-,46+,47+,48+,49-,51-,52-,53+,54-,55-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499330 (CHEMBL4299491) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@@H]1[C@H](C)[C@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@](C)(C[C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@](C)(O)[C@H](CC)OC(=O)[C@H]1C)OC |r| Show InChI InChI=1S/C53H87N5O15/c1-14-40-53(10,65)46(62)32(4)43(60)30(2)26-52(9,68-13)48(33(5)45(34(6)49(64)71-40)72-42-27-51(8,67-12)47(63)35(7)70-42)73-50-44(61)39(25-31(3)69-50)57(11)28-36-20-22-37(23-21-36)38-29-58(56-54-38)24-18-16-15-17-19-41(59)55-66/h20-23,29-35,39-40,42,44-48,50,61-63,65-66H,14-19,24-28H2,1-13H3,(H,55,59)/t30-,31+,32+,33-,34-,35-,39-,40-,42-,44+,45+,46+,47-,48-,50-,51+,52-,53-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499357 (CHEMBL3736342) Show SMILES [H][C@]12[C@@H](C)C3=NCCN1C(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)Cc1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1)[C@](C)(C[C@H]3C)OC |r,c:4| Show InChI InChI=1S/C48H73N7O11/c1-11-37-48(8)42-30(4)39(49-21-23-55(42)46(60)66-48)28(2)25-47(7,62-10)43(31(5)40(57)32(6)44(59)64-37)65-45-41(58)36(24-29(3)63-45)53(9)26-33-17-19-34(20-18-33)35-27-54(52-50-35)22-15-13-12-14-16-38(56)51-61/h17-20,27-32,36-37,41-43,45,58,61H,11-16,21-26H2,1-10H3,(H,51,56)/t28-,29-,30+,31+,32-,36+,37-,41-,42-,43-,45+,47+,48-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499331 (CHEMBL4299417) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)N(C)C[C@@H](C)C[C@](C)(O)[C@@]([H])(O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@H]1C |r| Show InChI InChI=1S/C53H90N6O14/c1-14-41-53(10,66)46(62)35(6)57(11)28-31(2)26-51(8,65)48(33(4)45(34(5)49(64)71-41)72-43-27-52(9,68-13)47(63)36(7)70-43)73-50-44(61)40(25-32(3)69-50)58(12)29-37-20-22-38(23-21-37)39-30-59(56-54-39)24-18-16-15-17-19-42(60)55-67/h20-23,30-36,40-41,43-48,50,61-63,65-67H,14-19,24-29H2,1-13H3,(H,55,60)/t31-,32-,33-,34-,35-,36-,40+,41+,43-,44-,45+,46-,47-,48-,50+,51-,52+,53-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499320 (CHEMBL3735736) Show SMILES [H][C@]12[C@@H](C)C3=NCCN1C(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)Cc1ccc(cc1)-c1cn(CCCCCC(=O)NO)nn1)[C@](C)(C[C@H]3C)OC |r,c:4| Show InChI InChI=1S/C47H71N7O11/c1-11-36-47(8)41-29(4)38(48-20-22-54(41)45(59)65-47)27(2)24-46(7,61-10)42(30(5)39(56)31(6)43(58)63-36)64-44-40(57)35(23-28(3)62-44)52(9)25-32-16-18-33(19-17-32)34-26-53(51-49-34)21-14-12-13-15-37(55)50-60/h16-19,26-31,35-36,40-42,44,57,60H,11-15,20-25H2,1-10H3,(H,50,55)/t27-,28-,29+,30+,31-,35+,36-,40-,41-,42-,44+,46+,47-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499345 (CHEMBL4299449) Show SMILES [H][C@]1(C[C@](C)(OC)[C@H](O)[C@@H](C)O1)O[C@@H]1[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H](C)N(Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)C[C@H](C)C[C@](C)(O)[C@]([H])(O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H]1C |r| Show InChI InChI=1S/C52H88N6O14/c1-14-40-52(10,65)45(61)34(6)57(28-36-19-21-37(22-20-36)38-29-58(55-53-38)23-17-15-16-18-41(59)54-66)27-30(2)25-50(8,64)47(72-49-43(60)39(56(11)12)24-31(3)68-49)32(4)44(33(5)48(63)70-40)71-42-26-51(9,67-13)46(62)35(7)69-42/h19-22,29-35,39-40,42-47,49,60-62,64-66H,14-18,23-28H2,1-13H3,(H,54,59)/t30-,31-,32+,33-,34+,35-,39+,40-,42-,43-,44+,45-,46-,47-,49+,50+,51+,52-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209789 (CHEMBL3885174) Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)c2ccc(OC)cc12 Show InChI InChI=1S/C29H35N5O5/c1-20-24(17-29(36)39-3)25-16-23(38-2)13-14-27(25)34(20)18-21-9-11-22(12-10-21)26-19-33(32-30-26)15-7-5-4-6-8-28(35)31-37/h9-14,16,19,37H,4-8,15,17-18H2,1-3H3,(H,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499362 (CHEMBL4299470) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)N(C)C[C@@H](C)C[C@](C)(O)[C@@]([H])(O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@H]1C |r| Show InChI InChI=1S/C52H88N6O14/c1-14-40-52(10,65)45(61)34(6)56(11)27-30(2)25-50(8,64)47(32(4)44(33(5)48(63)70-40)71-42-26-51(9,67-13)46(62)35(7)69-42)72-49-43(60)39(24-31(3)68-49)57(12)28-36-19-21-37(22-20-36)38-29-58(55-53-38)23-17-15-16-18-41(59)54-66/h19-22,29-35,39-40,42-47,49,60-62,64-66H,14-18,23-28H2,1-13H3,(H,54,59)/t30-,31-,32-,33-,34-,35-,39+,40+,42-,43-,44+,45-,46-,47-,49+,50-,51+,52-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499343 (CHEMBL4299468) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@](O)(CN(C)C)[C@H](C)O1)O[C@@H]1[C@@H](C)C(=O)O[C@@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@]([H])(O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@@H]1C |r| Show InChI InChI=1S/C55H95N7O14/c1-16-43-54(10,68)48(65)37(6)60(13)29-33(2)27-52(8,67)49(35(4)47(36(5)50(66)74-43)75-45-28-53(9,71-15)55(69,32-59(11)12)38(7)73-45)76-51-46(64)42(26-34(3)72-51)61(14)30-39-21-23-40(24-22-39)41-31-62(58-56-41)25-19-17-18-20-44(63)57-70/h21-24,31,33-38,42-43,45-49,51,64-65,67-70H,16-20,25-30,32H2,1-15H3,(H,57,63)/t33-,34-,35-,36-,37-,38+,42+,43+,45+,46-,47+,48-,49-,51+,52-,53-,54-,55+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50499327 (CHEMBL4299447) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@@H](C)N(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)C[C@@H](C)C[C@@](C)(O)[C@@]([H])(O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)C)[C@@H]1C |r| Show InChI InChI=1S/C53H90N6O14/c1-14-41-53(10,66)46(62)35(6)58(29-37-20-22-38(23-21-37)39-30-59(56-54-39)24-18-16-15-17-19-42(60)55-67)28-31(2)26-51(8,65)48(73-50-44(61)40(57(11)12)25-32(3)69-50)33(4)45(34(5)49(64)71-41)72-43-27-52(9,68-13)47(63)36(7)70-43/h20-23,30-36,40-41,43-48,50,61-63,65-67H,14-19,24-29H2,1-13H3,(H,55,60)/t31-,32-,33+,34-,35+,36-,40+,41-,43-,44-,45+,46-,47-,48-,50+,51+,52+,53-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50545002 (CHEMBL4635479) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C21H28N8O2/c1-2-16-19(20(22)25-21(23)24-16)15-10-8-14(9-11-15)17-13-29(28-26-17)12-6-4-3-5-7-18(30)27-31/h8-11,13,31H,2-7,12H2,1H3,(H,27,30)(H4,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 preincubated for 30 mins followed by substrate addition and measured after 1...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115345 BindingDB Entry DOI: 10.7270/Q2PR80K2
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499319 (CHEMBL3735212) Show SMILES [H][C@]12[C@@H](C)C3=NCCN1C(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)Cc1cccc(c1)-c1cn(CCCCCC(=O)NO)nn1)[C@](C)(C[C@H]3C)OC |r,c:4| Show InChI InChI=1S/C47H71N7O11/c1-11-36-47(8)41-29(4)38(48-19-21-54(41)45(59)65-47)27(2)24-46(7,61-10)42(30(5)39(56)31(6)43(58)63-36)64-44-40(57)35(22-28(3)62-44)52(9)25-32-16-15-17-33(23-32)34-26-53(51-49-34)20-14-12-13-18-37(55)50-60/h15-17,23,26-31,35-36,40-42,44,57,60H,11-14,18-22,24-25H2,1-10H3,(H,50,55)/t27-,28-,29+,30+,31-,35+,36-,40-,41-,42-,44+,46+,47-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499358 (CHEMBL4299467) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@](O)(CN(C)C)[C@H](C)O1)O[C@H]1[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)N(C)C[C@@H](C)C[C@](C)(O)[C@@]([H])(O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@H]1C |r| Show InChI InChI=1S/C56H97N7O14/c1-16-44-55(10,69)49(66)38(6)61(13)30-34(2)28-53(8,68)50(36(4)48(37(5)51(67)75-44)76-46-29-54(9,72-15)56(70,33-60(11)12)39(7)74-46)77-52-47(65)43(27-35(3)73-52)62(14)31-40-22-24-41(25-23-40)42-32-63(59-57-42)26-20-18-17-19-21-45(64)58-71/h22-25,32,34-39,43-44,46-50,52,65-66,68-71H,16-21,26-31,33H2,1-15H3,(H,58,64)/t34-,35-,36-,37-,38-,39-,43+,44+,46-,47-,48+,49-,50-,52+,53-,54+,55-,56-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50545003 (CHEMBL4636452) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(cc1)-c1cn(CCCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C22H30N8O2/c1-2-17-20(21(23)26-22(24)25-17)16-11-9-15(10-12-16)18-14-30(29-27-18)13-7-5-3-4-6-8-19(31)28-32/h9-12,14,32H,2-8,13H2,1H3,(H,28,31)(H4,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 preincubated for 30 mins followed by substrate addition and measured after 1...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115345 BindingDB Entry DOI: 10.7270/Q2PR80K2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50499357 (CHEMBL3736342) Show SMILES [H][C@]12[C@@H](C)C3=NCCN1C(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)Cc1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1)[C@](C)(C[C@H]3C)OC |r,c:4| Show InChI InChI=1S/C48H73N7O11/c1-11-37-48(8)42-30(4)39(49-21-23-55(42)46(60)66-48)28(2)25-47(7,62-10)43(31(5)40(57)32(6)44(59)64-37)65-45-41(58)36(24-29(3)63-45)53(9)26-33-17-19-34(20-18-33)35-27-54(52-50-35)22-15-13-12-14-16-38(56)51-61/h17-20,27-32,36-37,41-43,45,58,61H,11-16,21-26H2,1-10H3,(H,51,56)/t28-,29-,30+,31+,32-,36+,37-,41-,42-,43-,45+,47+,48-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209788 (CHEMBL3884506) Show SMILES COc1ccc2n(Cc3ccc(cc3)-c3cn(CCCCCCC(=O)NO)nn3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C28H33N5O5/c1-19-23(16-28(35)36)24-15-22(38-2)12-13-26(24)33(19)17-20-8-10-21(11-9-20)25-18-32(31-29-25)14-6-4-3-5-7-27(34)30-37/h8-13,15,18,37H,3-7,14,16-17H2,1-2H3,(H,30,34)(H,35,36)	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	22	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50499349 (CHEMBL4299370) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@](O)(CN(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@H](C)O1)O[C@@H]1[C@H](C)[C@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(C[C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@](C)(O)[C@H](CC)OC(=O)[C@H]1C)OC |r| Show InChI InChI=1S/C56H94N6O15/c1-16-43-55(10,68)49(66)35(4)46(64)33(2)28-53(8,71-14)50(77-52-47(65)42(60(11)12)27-34(3)73-52)36(5)48(37(6)51(67)75-43)76-45-29-54(9,72-15)56(69,38(7)74-45)32-61(13)30-39-22-24-40(25-23-39)41-31-62(59-57-41)26-20-18-17-19-21-44(63)58-70/h22-25,31,33-38,42-43,45,47-50,52,65-66,68-70H,16-21,26-30,32H2,1-15H3,(H,58,63)/t33-,34+,35+,36-,37-,38-,42-,43-,45-,47+,48+,49+,50-,52-,53-,54+,55-,56-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499355 (CHEMBL4299469) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@@H](C)N(Cc2ccc(cc2)-c2cn(CCCCC(=O)NO)nn2)C[C@@H](C)C[C@@](C)(O)[C@@]([H])(O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)C)[C@@H]1C |r| Show InChI InChI=1S/C51H86N6O14/c1-14-39-51(10,64)44(60)33(6)56(27-35-18-20-36(21-19-35)37-28-57(54-52-37)22-16-15-17-40(58)53-65)26-29(2)24-49(8,63)46(71-48-42(59)38(55(11)12)23-30(3)67-48)31(4)43(32(5)47(62)69-39)70-41-25-50(9,66-13)45(61)34(7)68-41/h18-21,28-34,38-39,41-46,48,59-61,63-65H,14-17,22-27H2,1-13H3,(H,53,58)/t29-,30-,31+,32-,33+,34-,38+,39-,41-,42-,43+,44-,45-,46-,48+,49+,50+,51-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499325 (CHEMBL4299488) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@](O)(CN(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@H](C)O1)O[C@H]1[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)N(C)C[C@@H](C)C[C@](C)(O)[C@@]([H])(O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)C)[C@H]1C |r| Show InChI InChI=1S/C56H97N7O14/c1-16-44-55(10,69)49(66)38(6)62(14)30-34(2)28-53(8,68)50(77-52-47(65)43(60(11)12)27-35(3)73-52)36(4)48(37(5)51(67)75-44)76-46-29-54(9,72-15)56(70,39(7)74-46)33-61(13)31-40-22-24-41(25-23-40)42-32-63(59-57-42)26-20-18-17-19-21-45(64)58-71/h22-25,32,34-39,43-44,46-50,52,65-66,68-71H,16-21,26-31,33H2,1-15H3,(H,58,64)/t34-,35-,36-,37-,38-,39-,43+,44+,46-,47-,48+,49-,50-,52+,53-,54+,55-,56-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499365 (CHEMBL4299472) Show SMILES [H][C@]1(C[C@](C)(OC)[C@H](O)[C@@H](C)O1)O[C@@H]1[C@@H](C)C(=O)O[C@@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@]([H])(O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccccc2-c2cn(CCCCCCC(=O)NO)nn2)[C@@H]1C |r| Show InChI InChI=1S/C53H90N6O14/c1-14-41-53(10,66)46(62)35(6)57(11)28-31(2)26-51(8,65)48(33(4)45(34(5)49(64)71-41)72-43-27-52(9,68-13)47(63)36(7)70-43)73-50-44(61)40(25-32(3)69-50)58(12)29-37-21-18-19-22-38(37)39-30-59(56-54-39)24-20-16-15-17-23-42(60)55-67/h18-19,21-22,30-36,40-41,43-48,50,61-63,65-67H,14-17,20,23-29H2,1-13H3,(H,55,60)/t31-,32-,33-,34-,35-,36-,40+,41+,43-,44-,45+,46-,47-,48-,50+,51-,52+,53-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499348 (CHEMBL4299407) Show SMILES [H][C@]1(C[C@](C)(OC)[C@@](O)(CN(C)C)[C@@H](C)O1)O[C@@H]1[C@H](C)[C@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@](C)(C[C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@](C)(O)[C@H](CC)OC(=O)[C@H]1C)OC |r| Show InChI InChI=1S/C56H94N6O15/c1-16-43-55(10,68)49(66)35(4)46(64)33(2)28-53(8,71-14)50(36(5)48(37(6)51(67)75-43)76-45-29-54(9,72-15)56(69,32-60(11)12)38(7)74-45)77-52-47(65)42(27-34(3)73-52)61(13)30-39-22-24-40(25-23-39)41-31-62(59-57-41)26-20-18-17-19-21-44(63)58-70/h22-25,31,33-38,42-43,45,47-50,52,65-66,68-70H,16-21,26-30,32H2,1-15H3,(H,58,63)/t33-,34+,35+,36-,37-,38+,42-,43-,45+,47+,48+,49+,50-,52-,53-,54-,55-,56+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499323 (CHEMBL4299428) Show SMILES [H][C@]1(C[C@](C)(OC)[C@@](O)(CN(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@@H](C)O1)O[C@@H]1[C@@H](C)C(=O)O[C@@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@]([H])(O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H]1C |r| Show InChI InChI=1S/C55H95N7O14/c1-16-43-54(10,68)48(65)37(6)61(14)29-33(2)27-52(8,67)49(76-51-46(64)42(59(11)12)26-34(3)72-51)35(4)47(36(5)50(66)74-43)75-45-28-53(9,71-15)55(69,38(7)73-45)32-60(13)30-39-21-23-40(24-22-39)41-31-62(58-56-41)25-19-17-18-20-44(63)57-70/h21-24,31,33-38,42-43,45-49,51,64-65,67-70H,16-20,25-30,32H2,1-15H3,(H,57,63)/t33-,34-,35-,36-,37-,38-,42+,43+,45-,46-,47+,48-,49-,51+,52-,53+,54-,55-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50209791 (CHEMBL3883560) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCCCC(=O)NO Show InChI InChI=1S/C25H31N5O5S/c1-18-8-10-19(11-9-18)23-17-22(25(32)27-16-6-4-2-3-5-7-24(31)29-33)28-30(23)20-12-14-21(15-13-20)36(26,34)35/h8-15,17,33H,2-7,16H2,1H3,(H,27,32)(H,29,31)(H2,26,34,35)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50499348 (CHEMBL4299407) Show SMILES [H][C@]1(C[C@](C)(OC)[C@@](O)(CN(C)C)[C@@H](C)O1)O[C@@H]1[C@H](C)[C@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@](C)(C[C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@](C)(O)[C@H](CC)OC(=O)[C@H]1C)OC |r| Show InChI InChI=1S/C56H94N6O15/c1-16-43-55(10,68)49(66)35(4)46(64)33(2)28-53(8,71-14)50(36(5)48(37(6)51(67)75-43)76-45-29-54(9,72-15)56(69,32-60(11)12)38(7)74-45)77-52-47(65)42(27-34(3)73-52)61(13)30-39-22-24-40(25-23-39)41-31-62(59-57-41)26-20-18-17-19-21-44(63)58-70/h22-25,31,33-38,42-43,45,47-50,52,65-66,68-70H,16-21,26-30,32H2,1-15H3,(H,58,63)/t33-,34+,35+,36-,37-,38+,42-,43-,45+,47+,48+,49+,50-,52-,53-,54-,55-,56+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499336 (CHEMBL4299384) Show SMILES [H][C@]1(C[C@](C)(OC)[C@@](O)(CN(C)C)[C@@H](C)O1)O[C@@H]1[C@H](C)[C@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@](C)(C[C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@](C)(O)[C@H](CC)OC(=O)[C@H]1C)OC |r| Show InChI InChI=1S/C55H92N6O15/c1-16-42-54(10,67)48(65)34(4)45(63)32(2)27-52(8,70-14)49(35(5)47(36(6)50(66)74-42)75-44-28-53(9,71-15)55(68,31-59(11)12)37(7)73-44)76-51-46(64)41(26-33(3)72-51)60(13)29-38-21-23-39(24-22-38)40-30-61(58-56-40)25-19-17-18-20-43(62)57-69/h21-24,30,32-37,41-42,44,46-49,51,64-65,67-69H,16-20,25-29,31H2,1-15H3,(H,57,62)/t32-,33+,34+,35-,36-,37+,41-,42-,44+,46+,47+,48+,49-,51-,52-,53-,54-,55+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209791 (CHEMBL3883560) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCCCC(=O)NO Show InChI InChI=1S/C25H31N5O5S/c1-18-8-10-19(11-9-18)23-17-22(25(32)27-16-6-4-2-3-5-7-24(31)29-33)28-30(23)20-12-14-21(15-13-20)36(26,34)35/h8-15,17,33H,2-7,16H2,1H3,(H,27,32)(H,29,31)(H2,26,34,35)	PDB 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	33	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					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	34	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 preincubated for 30 mins followed by substrate addition and measured after 1...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115345 BindingDB Entry DOI: 10.7270/Q2PR80K2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209789 (CHEMBL3885174) Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)c2ccc(OC)cc12 Show InChI InChI=1S/C29H35N5O5/c1-20-24(17-29(36)39-3)25-16-23(38-2)13-14-27(25)34(20)18-21-9-11-22(12-10-21)26-19-33(32-30-26)15-7-5-4-6-8-28(35)31-37/h9-14,16,19,37H,4-8,15,17-18H2,1-3H3,(H,31,35)	PDB 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	35	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499321 (CHEMBL4299419) Show SMILES [H][C@]1(C[C@](C)(OC)[C@H](O)[C@@H](C)O1)O[C@@H]1[C@@H](C)C(=O)O[C@@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@]([H])(O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2cccc(c2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@H]1C |r| Show InChI InChI=1S/C53H90N6O14/c1-14-41-53(10,66)46(62)35(6)57(11)28-31(2)26-51(8,65)48(33(4)45(34(5)49(64)71-41)72-43-27-52(9,68-13)47(63)36(7)70-43)73-50-44(61)40(24-32(3)69-50)58(12)29-37-20-19-21-38(25-37)39-30-59(56-54-39)23-18-16-15-17-22-42(60)55-67/h19-21,25,30-36,40-41,43-48,50,61-63,65-67H,14-18,22-24,26-29H2,1-13H3,(H,55,60)/t31-,32-,33-,34-,35-,36-,40+,41+,43-,44-,45+,46-,47-,48-,50+,51-,52+,53-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					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	42	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate preincubated for 30 mins followed by substrate addition and measured after 15 ...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115345 BindingDB Entry DOI: 10.7270/Q2PR80K2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499338 (CHEMBL4299411) Show SMILES [H][C@]1(C[C@](C)(OC)[C@H](O)[C@@H](C)O1)O[C@@H]1[C@@H](C)C(=O)O[C@@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@]([H])(O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2cccc(c2)-c2cn(CCCCCC(=O)NO)nn2)[C@@H]1C |r| Show InChI InChI=1S/C52H88N6O14/c1-14-40-52(10,65)45(61)34(6)56(11)27-30(2)25-50(8,64)47(32(4)44(33(5)48(63)70-40)71-42-26-51(9,67-13)46(62)35(7)69-42)72-49-43(60)39(23-31(3)68-49)57(12)28-36-19-18-20-37(24-36)38-29-58(55-53-38)22-17-15-16-21-41(59)54-66/h18-20,24,29-35,39-40,42-47,49,60-62,64-66H,14-17,21-23,25-28H2,1-13H3,(H,54,59)/t30-,31-,32-,33-,34-,35-,39+,40+,42-,43-,44+,45-,46-,47-,49+,50-,51+,52-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50545002 (CHEMBL4635479) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C21H28N8O2/c1-2-16-19(20(22)25-21(23)24-16)15-10-8-14(9-11-15)17-13-29(28-26-17)12-6-4-3-5-7-18(30)27-31/h8-11,13,31H,2-7,12H2,1H3,(H,27,30)(H4,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate preincubated for 30 mins followed by substrate addition and measured after 15 ...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115345 BindingDB Entry DOI: 10.7270/Q2PR80K2
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50545001 (CHEMBL4649487) Show SMILES CCc1nc(N)nc(N)c1-c1ccc(cc1)-c1cn(CCCCCC(=O)NO)nn1 Show InChI InChI=1S/C20H26N8O2/c1-2-15-18(19(21)24-20(22)23-15)14-9-7-13(8-10-14)16-12-28(27-25-16)11-5-3-4-6-17(29)26-30/h7-10,12,30H,2-6,11H2,1H3,(H,26,29)(H4,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 preincubated for 30 mins followed by substrate addition and measured after 1...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115345 BindingDB Entry DOI: 10.7270/Q2PR80K2
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209790 (CHEMBL3885367) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCCCC(=O)NO)c2c1 Show InChI InChI=1S/C26H30ClN3O5/c1-17-21(16-25(32)28-14-6-4-3-5-7-24(31)29-34)22-15-20(35-2)12-13-23(22)30(17)26(33)18-8-10-19(27)11-9-18/h8-13,15,34H,3-7,14,16H2,1-2H3,(H,28,32)(H,29,31)	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	49	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209794 (CHEMBL3884118) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCCC(=O)NO)c2c1 Show InChI InChI=1S/C25H28ClN3O5/c1-16-20(15-24(31)27-13-5-3-4-6-23(30)28-33)21-14-19(34-2)11-12-22(21)29(16)25(32)17-7-9-18(26)10-8-17/h7-12,14,33H,3-6,13,15H2,1-2H3,(H,27,31)(H,28,30)	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	49	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50499325 (CHEMBL4299488) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@](O)(CN(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@H](C)O1)O[C@H]1[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)N(C)C[C@@H](C)C[C@](C)(O)[C@@]([H])(O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)C)[C@H]1C |r| Show InChI InChI=1S/C56H97N7O14/c1-16-44-55(10,69)49(66)38(6)62(14)30-34(2)28-53(8,68)50(77-52-47(65)43(60(11)12)27-35(3)73-52)36(4)48(37(5)51(67)75-44)76-46-29-54(9,72-15)56(70,39(7)74-46)33-61(13)31-40-22-24-41(25-23-40)42-32-63(59-57-42)26-20-18-17-19-21-45(64)58-71/h22-25,32,34-39,43-44,46-50,52,65-66,68-71H,16-21,26-31,33H2,1-15H3,(H,58,64)/t34-,35-,36-,37-,38-,39-,43+,44+,46-,47-,48+,49-,50-,52+,53-,54+,55-,56-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209834 (CHEMBL3884141) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C25H30N4O5S/c1-18-8-10-19(11-9-18)23-17-22(25(31)26-16-6-4-3-5-7-24(30)28-32)27-29(23)20-12-14-21(15-13-20)35(2,33)34/h8-15,17,32H,3-7,16H2,1-2H3,(H,26,31)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209797 (CHEMBL3885245) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCCCCC(=O)NO)c2c1 Show InChI InChI=1S/C27H32ClN3O5/c1-18-22(17-26(33)29-15-7-5-3-4-6-8-25(32)30-35)23-16-21(36-2)13-14-24(23)31(18)27(34)19-9-11-20(28)12-10-19/h9-14,16,35H,3-8,15,17H2,1-2H3,(H,29,33)(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50499346 (CHEMBL3736314) Show SMILES [H][C@]12[C@@H](C)C3=NCCN1C(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)Cc1cccc(c1)-c1cn(CCCCCCC(=O)NO)nn1)[C@](C)(C[C@H]3C)OC |r,c:4| Show InChI InChI=1S/C48H73N7O11/c1-11-37-48(8)42-30(4)39(49-20-22-55(42)46(60)66-48)28(2)25-47(7,62-10)43(31(5)40(57)32(6)44(59)64-37)65-45-41(58)36(23-29(3)63-45)53(9)26-33-17-16-18-34(24-33)35-27-54(52-50-35)21-15-13-12-14-19-38(56)51-61/h16-18,24,27-32,36-37,41-43,45,58,61H,11-15,19-23,25-26H2,1-10H3,(H,51,56)/t28-,29-,30+,31+,32-,36+,37-,41-,42-,43-,45+,47+,48-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209788 (CHEMBL3884506) Show SMILES COc1ccc2n(Cc3ccc(cc3)-c3cn(CCCCCCC(=O)NO)nn3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C28H33N5O5/c1-19-23(16-28(35)36)24-15-22(38-2)12-13-26(24)33(19)17-20-8-10-21(11-9-20)25-18-32(31-29-25)14-6-4-3-5-7-27(34)30-37/h8-13,15,18,37H,3-7,14,16-17H2,1-2H3,(H,30,34)(H,35,36)	PDB 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	59	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50209791 (CHEMBL3883560) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCCCC(=O)NO Show InChI InChI=1S/C25H31N5O5S/c1-18-8-10-19(11-9-18)23-17-22(25(32)27-16-6-4-2-3-5-7-24(31)29-33)28-30(23)20-12-14-21(15-13-20)36(26,34)35/h8-15,17,33H,2-7,16H2,1H3,(H,27,32)(H,29,31)(H2,26,34,35)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209829 (CHEMBL3883830) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(=O)(=O)NCCCCCCCC(=O)NO)C(F)(F)F Show InChI InChI=1S/C25H29F3N4O4S/c1-18-8-10-19(11-9-18)22-17-23(25(26,27)28)30-32(22)20-12-14-21(15-13-20)37(35,36)29-16-6-4-2-3-5-7-24(33)31-34/h8-15,17,29,34H,2-7,16H2,1H3,(H,31,33)	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	61	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209835 (CHEMBL3885496) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(=O)(=O)NCCCCCCC(=O)NO)C(F)(F)F Show InChI InChI=1S/C24H27F3N4O4S/c1-17-7-9-18(10-8-17)21-16-22(24(25,26)27)29-31(21)19-11-13-20(14-12-19)36(34,35)28-15-5-3-2-4-6-23(32)30-33/h7-14,16,28,33H,2-6,15H2,1H3,(H,30,32)	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	66	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50499331 (CHEMBL4299417) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)N(C)C[C@@H](C)C[C@](C)(O)[C@@]([H])(O[C@H]2O[C@@H](C)C[C@H]([C@@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@H]1C |r| Show InChI InChI=1S/C53H90N6O14/c1-14-41-53(10,66)46(62)35(6)57(11)28-31(2)26-51(8,65)48(33(4)45(34(5)49(64)71-41)72-43-27-52(9,68-13)47(63)36(7)70-43)73-50-44(61)40(25-32(3)69-50)58(12)29-37-20-22-38(23-21-37)39-30-59(56-54-39)24-18-16-15-17-19-42(60)55-67/h20-23,30-36,40-41,43-48,50,61-63,65-67H,14-19,24-29H2,1-13H3,(H,55,60)/t31-,32-,33-,34-,35-,36-,40+,41+,43-,44-,45+,46-,47-,48-,50+,51-,52+,53-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50499351 (CHEMBL4299406) Show SMILES [H][C@]1(C[C@](C)(OC)[C@H](O)[C@@H](C)O1)O[C@H]1[C@@H](C)[C@@H](O[C@@]2([H])O[C@@H](C)C[C@H]([C@@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC |r| Show InChI InChI=1S/C50H81N5O15/c1-14-37-50(10,62)43(59)29(4)40(57)27(2)23-49(9,65-13)45(30(5)42(31(6)46(61)68-37)69-39-24-48(8,64-12)44(60)32(7)67-39)70-47-41(58)36(22-28(3)66-47)54(11)25-33-17-19-34(20-18-33)35-26-55(53-51-35)21-15-16-38(56)52-63/h17-20,26-32,36-37,39,41-45,47,58-60,62-63H,14-16,21-25H2,1-13H3,(H,52,56)/t27-,28+,29+,30-,31-,32-,36-,37-,39-,41+,42+,43+,44-,45-,47-,48+,49-,50-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 (unknown origin) expressed in Escherichia coli BL21(DE3) after 60 mins using trichostatin A by label-free mass spectr...				Bioorg Med Chem 23: 7543-64 (2015) Article DOI: 10.1016/j.bmc.2015.10.045 BindingDB Entry DOI: 10.7270/Q2RX9G2V
					More data for this Ligand-Target Pair

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