Found 230 hits with Last Name = 'raji' and Initial = 'i' 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 1
(Homo sapiens (Human)) | BDBM50235296
(CHEMBL4096623)Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C22H34N6O3/c1-3-27(4-2)16-14-23-22(30)19-12-10-18(11-13-19)20-17-28(26-24-20)15-8-6-5-7-9-21(29)25-31/h10-13,17,31H,3-9,14-16H2,1-2H3,(H,23,30)(H,25,29) | 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 | 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 HDAC1 (unknown origin) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044
BindingDB Entry DOI: 10.7270/Q25B04R4 |
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)) | 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)) | 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)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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 | 11 | 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) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044
BindingDB Entry DOI: 10.7270/Q25B04R4 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50235293
(CHEMBL4102456)Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C23H36N6O3/c1-3-28(4-2)17-15-24-23(31)20-13-11-19(12-14-20)21-18-29(27-25-21)16-9-7-5-6-8-10-22(30)26-32/h11-14,18,32H,3-10,15-17H2,1-2H3,(H,24,31)(H,26,30) | 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 | 12 | 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) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044
BindingDB Entry DOI: 10.7270/Q25B04R4 |
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 6
(Homo sapiens (Human)) | BDBM50235296
(CHEMBL4096623)Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C22H34N6O3/c1-3-27(4-2)16-14-23-22(30)19-12-10-18(11-13-19)20-17-28(26-24-20)15-8-6-5-7-9-21(29)25-31/h10-13,17,31H,3-9,14-16H2,1-2H3,(H,23,30)(H,25,29) | 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 | 16 | 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) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044
BindingDB Entry DOI: 10.7270/Q25B04R4 |
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 1
(Homo sapiens (Human)) | BDBM50235295
(CHEMBL4092997)Show SMILES CCN(CC)CCNC(=O)c1ccc(cn1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C21H33N7O3/c1-3-27(4-2)14-12-22-21(30)18-11-10-17(15-23-18)19-16-28(26-24-19)13-8-6-5-7-9-20(29)25-31/h10-11,15-16,31H,3-9,12-14H2,1-2H3,(H,22,30)(H,25,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 HDAC1 (unknown origin) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044
BindingDB Entry DOI: 10.7270/Q25B04R4 |
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 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)) | BDBM50235293
(CHEMBL4102456)Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cn(CCCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C23H36N6O3/c1-3-28(4-2)17-15-24-23(31)20-13-11-19(12-14-20)21-18-29(27-25-21)16-9-7-5-6-8-10-22(30)26-32/h11-14,18,32H,3-10,15-17H2,1-2H3,(H,24,31)(H,26,30) | 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 | 27 | 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) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044
BindingDB Entry DOI: 10.7270/Q25B04R4 |
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 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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 | 31 | 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) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044
BindingDB Entry DOI: 10.7270/Q25B04R4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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 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 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 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)) | BDBM50235295
(CHEMBL4092997)Show SMILES CCN(CC)CCNC(=O)c1ccc(cn1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C21H33N7O3/c1-3-27(4-2)14-12-22-21(30)18-11-10-17(15-23-18)19-16-28(26-24-19)13-8-6-5-7-9-20(29)25-31/h10-11,15-16,31H,3-9,12-14H2,1-2H3,(H,22,30)(H,25,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 HDAC6 (unknown origin) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044
BindingDB Entry DOI: 10.7270/Q25B04R4 |
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 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 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 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 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)) | 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 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 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 | |
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