Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'miyata' and Initial = 'm'   

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))	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
Proto-oncogene tyrosine-protein kinase Src (Rattus norvegicus)	BDBM50024270 (CHEMBL85612) Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3C\C(\C=C\C=C/[C@@]1([H])O2)=N\OCC(=O)Nc1ccc(cc1)N(CC)CC |c:22,t:20| Show InChI InChI=1S/C30H34ClN3O7/c1-4-34(5-2)21-12-10-19(11-13-21)32-27(37)17-39-33-20-8-6-7-9-25-26(41-25)14-18(3)40-30(38)28-22(15-20)29(31)24(36)16-23(28)35/h6-13,16,18,25-26,35-36H,4-5,14-15,17H2,1-3H3,(H,32,37)/b8-6+,9-7-,33-20+/t18-,25-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposure				J Med Chem 46: 2534-41 (2003) Article DOI: 10.1021/jm030110r BindingDB Entry DOI: 10.7270/Q2H41QTG
					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
Proto-oncogene tyrosine-protein kinase Src (Rattus norvegicus)	BDBM50128843 (16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricy...) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)N1CCN(C)CC1 |c:7,t:9| Show InChI InChI=1S/C25H30ClN3O7/c1-15-11-21-20(36-21)6-4-3-5-16(27-34-14-22(32)29-9-7-28(2)8-10-29)12-17-23(25(33)35-15)18(30)13-19(31)24(17)26/h3-6,13,15,20-21,30-31H,7-12,14H2,1-2H3/b5-3+,6-4-,27-16+/t15-,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr				J Med Chem 46: 2534-41 (2003) Article DOI: 10.1021/jm030110r BindingDB Entry DOI: 10.7270/Q2H41QTG
					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
Proto-oncogene tyrosine-protein kinase Src (Rattus norvegicus)	BDBM50128852 (2-(16-Chloro-17,19-dihydroxy-4-methyl-2-oxo-3,7-di...) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)NC1CCCC1 |c:7,t:9| Show InChI InChI=1S/C25H29ClN2O7/c1-14-10-21-20(35-21)9-5-4-8-16(28-33-13-22(31)27-15-6-2-3-7-15)11-17-23(25(32)34-14)18(29)12-19(30)24(17)26/h4-5,8-9,12,14-15,20-21,29-30H,2-3,6-7,10-11,13H2,1H3,(H,27,31)/b8-4+,9-5-,28-16+/t14-,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposure				J Med Chem 46: 2534-41 (2003) Article DOI: 10.1021/jm030110r BindingDB Entry DOI: 10.7270/Q2H41QTG
					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
Proto-oncogene tyrosine-protein kinase Src (Rattus norvegicus)	BDBM50128851 (2-(16-Chloro-17,19-dihydroxy-4-methyl-2-oxo-3,7-di...) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)NCC1CCCCC1 |c:7,t:9| Show InChI InChI=1S/C27H33ClN2O7/c1-16-11-23-22(37-23)10-6-5-9-18(30-35-15-24(33)29-14-17-7-3-2-4-8-17)12-19-25(27(34)36-16)20(31)13-21(32)26(19)28/h5-6,9-10,13,16-17,22-23,31-32H,2-4,7-8,11-12,14-15H2,1H3,(H,29,33)/b9-5+,10-6-,30-18+/t16-,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposure				J Med Chem 46: 2534-41 (2003) Article DOI: 10.1021/jm030110r BindingDB Entry DOI: 10.7270/Q2H41QTG
					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 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 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
Proto-oncogene tyrosine-protein kinase Src (Rattus norvegicus)	BDBM50128859 (16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricy...) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)N1CCCCC1 |c:7,t:9| Show InChI InChI=1S/C25H29ClN2O7/c1-15-11-21-20(35-21)8-4-3-7-16(27-33-14-22(31)28-9-5-2-6-10-28)12-17-23(25(32)34-15)18(29)13-19(30)24(17)26/h3-4,7-8,13,15,20-21,29-30H,2,5-6,9-12,14H2,1H3/b7-3+,8-4-,27-16+/t15-,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposure				J Med Chem 46: 2534-41 (2003) Article DOI: 10.1021/jm030110r BindingDB Entry DOI: 10.7270/Q2H41QTG
					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))	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))	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))	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 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 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))	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
Proto-oncogene tyrosine-protein kinase Src (Rattus norvegicus)	BDBM50128846 (2-(16-Chloro-17,19-dihydroxy-4-methyl-2-oxo-3,7-di...) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)Nc1ccccc1 |c:7,t:9| Show InChI InChI=1S/C26H25ClN2O7/c1-15-11-22-21(36-22)10-6-5-9-17(29-34-14-23(32)28-16-7-3-2-4-8-16)12-18-24(26(33)35-15)19(30)13-20(31)25(18)27/h2-10,13,15,21-22,30-31H,11-12,14H2,1H3,(H,28,32)/b9-5+,10-6-,29-17+/t15-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposure				J Med Chem 46: 2534-41 (2003) Article DOI: 10.1021/jm030110r BindingDB Entry DOI: 10.7270/Q2H41QTG
					More data for this Ligand-Target Pair
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))	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
Proto-oncogene tyrosine-protein kinase Src (Rattus norvegicus)	BDBM50128850 (2-(16-Chloro-17,19-dihydroxy-4-methyl-2-oxo-3,7-di...) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)Nc1cccnc1 |c:7,t:9| Show InChI InChI=1S/C25H24ClN3O7/c1-14-9-21-20(36-21)7-3-2-5-15(29-34-13-22(32)28-16-6-4-8-27-12-16)10-17-23(25(33)35-14)18(30)11-19(31)24(17)26/h2-8,11-12,14,20-21,30-31H,9-10,13H2,1H3,(H,28,32)/b5-2+,7-3-,29-15+/t14-,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposure				J Med Chem 46: 2534-41 (2003) Article DOI: 10.1021/jm030110r BindingDB Entry DOI: 10.7270/Q2H41QTG
					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
Proto-oncogene tyrosine-protein kinase Src (Rattus norvegicus)	BDBM50128847 (10-Oxime radicicol | 16-Chloro-17,19-dihydroxy-4-m...) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2C=CCC=C(Cc2c(Cl)c(O)cc(O)c2C(=O)O1)N=O |w:7.8,9.9| Show InChI InChI=1S/C18H18ClNO6/c1-9-6-15-14(26-15)5-3-2-4-10(20-24)7-11-16(18(23)25-9)12(21)8-13(22)17(11)19/h3-5,8-9,14-15,21-22H,2,6-7H2,1H3/t9-,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposure				J Med Chem 46: 2534-41 (2003) Article DOI: 10.1021/jm030110r BindingDB Entry DOI: 10.7270/Q2H41QTG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Rattus norvegicus)	BDBM50128857 (16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricy...) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)N1CCCCCC1 |c:7,t:9| Show InChI InChI=1S/C26H31ClN2O7/c1-16-12-22-21(36-22)9-5-4-8-17(28-34-15-23(32)29-10-6-2-3-7-11-29)13-18-24(26(33)35-16)19(30)14-20(31)25(18)27/h4-5,8-9,14,16,21-22,30-31H,2-3,6-7,10-13,15H2,1H3/b8-4+,9-5-,28-17+/t16-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposure				J Med Chem 46: 2534-41 (2003) Article DOI: 10.1021/jm030110r BindingDB Entry DOI: 10.7270/Q2H41QTG
					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
Proto-oncogene tyrosine-protein kinase Src (Rattus norvegicus)	BDBM50128853 (16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricy...) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)N1CCCC1 |c:7,t:9| Show InChI InChI=1S/C24H27ClN2O7/c1-14-10-20-19(34-20)7-3-2-6-15(26-32-13-21(30)27-8-4-5-9-27)11-16-22(24(31)33-14)17(28)12-18(29)23(16)25/h2-3,6-7,12,14,19-20,28-29H,4-5,8-11,13H2,1H3/b6-2+,7-3-,26-15+/t14-,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposure				J Med Chem 46: 2534-41 (2003) Article DOI: 10.1021/jm030110r BindingDB Entry DOI: 10.7270/Q2H41QTG
					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
Histone deacetylase 1 (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	73	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))	BDBM50499356 (CHEMBL3736170) 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)Cc1ccccc1-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)26-33-18-15-16-19-34(33)35-27-54(52-50-35)22-17-13-12-14-20-38(56)51-61/h15-16,18-19,27-32,36-37,41-43,45,58,61H,11-14,17,20-26H2,1-10H3,(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	75	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))	BDBM50499360 (CHEMBL3734952) 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(CCCCC(=O)NO)nn1)[C@](C)(C[C@H]3C)OC |r,c:4| Show InChI InChI=1S/C46H69N7O11/c1-11-35-46(8)40-28(4)37(47-19-21-53(40)44(58)64-46)26(2)23-45(7,60-10)41(29(5)38(55)30(6)42(57)62-35)63-43-39(56)34(22-27(3)61-43)51(9)24-31-15-17-32(18-16-31)33-25-52(50-48-33)20-13-12-14-36(54)49-59/h15-18,25-30,34-35,39-41,43,56,59H,11-14,19-24H2,1-10H3,(H,49,54)/t26-,27-,28+,29+,30-,34+,35-,39-,40-,41-,43+,45+,46-/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	77	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))	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	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 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))	BDBM50499342 (CHEMBL4299456) Show SMILES [H][C@@]1(C[C@@](C)(OC)[C@](O)(CN(C)Cc2ccc(cc2)-c2cn(CCCCC(=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/C54H93N7O14/c1-16-42-53(10,67)47(64)36(6)60(14)28-32(2)26-51(8,66)48(75-50-45(63)41(58(11)12)25-33(3)71-50)34(4)46(35(5)49(65)73-42)74-44-27-52(9,70-15)54(68,37(7)72-44)31-59(13)29-38-20-22-39(23-21-38)40-30-61(57-55-40)24-18-17-19-43(62)56-69/h20-23,30,32-37,41-42,44-48,50,63-64,66-69H,16-19,24-29,31H2,1-15H3,(H,56,62)/t32-,33-,34-,35-,36-,37-,41+,42+,44-,45-,46+,47-,48-,50+,51-,52+,53-,54-/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	95	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))	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	101	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))	BDBM50499332 (CHEMBL4299391) 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(CCCC(=O)NO)nn2)[C@H]1C |r| Show InChI InChI=1S/C50H84N6O14/c1-14-38-50(10,63)43(59)32(6)54(11)25-28(2)23-48(8,62)45(30(4)42(31(5)46(61)68-38)69-40-24-49(9,65-13)44(60)33(7)67-40)70-47-41(58)37(22-29(3)66-47)55(12)26-34-17-19-35(20-18-34)36-27-56(53-51-36)21-15-16-39(57)52-64/h17-20,27-33,37-38,40-45,47,58-60,62-64H,14-16,21-26H2,1-13H3,(H,52,57)/t28-,29-,30-,31-,32-,33-,37+,38+,40-,41-,42+,43-,44-,45-,47+,48-,49+,50-/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	106	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))	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	109	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 1 (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	109	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))	BDBM50499333 (CHEMBL4299380) 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(CCCCC(=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/C51H83N5O15/c1-14-38-51(10,63)44(60)30(4)41(58)28(2)24-50(9,66-13)46(31(5)43(32(6)47(62)69-38)70-40-25-49(8,65-12)45(61)33(7)68-40)71-48-42(59)37(23-29(3)67-48)55(11)26-34-18-20-35(21-19-34)36-27-56(54-52-36)22-16-15-17-39(57)53-64/h18-21,27-33,37-38,40,42-46,48,59-61,63-64H,14-17,22-26H2,1-13H3,(H,53,57)/t28-,29+,30+,31-,32-,33-,37-,38-,40-,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	120	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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