Found 49 hits of kd data for polymerid = 1996 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50397360
(CHEMBL2170177 | US10188756, Compound CN110)Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50542229
(CHEMBL4642821)Show SMILES CC(C)N(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C19H16F6N2O3/c1-10(2)27(15-5-3-11(4-6-15)16(28)26-30)17(29)12-7-13(18(20,21)22)9-14(8-12)19(23,24)25/h3-10,30H,1-2H3,(H,26,28) | 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 | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50595334
(CHEMBL5202271)Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1C(=O)NCCCNc1ccc(c2nonc12)S(=O)(=O)N(C)C | 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 | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116821
BindingDB Entry DOI: 10.7270/Q2CJ8JGG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50595333
(CHEMBL5197578)Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1C(=O)NCCNc1ccc(c2nonc12)S(=O)(=O)N(C)C | 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 | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116821
BindingDB Entry DOI: 10.7270/Q2CJ8JGG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50542225
(CHEMBL4643684)Show SMILES CC(C)N(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H17F3N2O3/c1-11(2)23(15-8-6-12(7-9-15)16(24)22-26)17(25)13-4-3-5-14(10-13)18(19,20)21/h3-11,26H,1-2H3,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50542232
(CHEMBL4638505)Show SMILES CC(C)N(C(=O)c1ccc(F)c(c1)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H16F4N2O3/c1-10(2)24(13-6-3-11(4-7-13)16(25)23-27)17(26)12-5-8-15(19)14(9-12)18(20,21)22/h3-10,27H,1-2H3,(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50542231
(CHEMBL4649651)Show SMILES CC(C)N(C(=O)c1cccc(c1F)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H16F4N2O3/c1-10(2)24(12-8-6-11(7-9-12)16(25)23-27)17(26)13-4-3-5-14(15(13)19)18(20,21)22/h3-10,27H,1-2H3,(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50542230
(CHEMBL4649867)Show SMILES CC(C)N(C(=O)c1cccc(OC(F)(F)F)c1)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H17F3N2O4/c1-11(2)23(14-8-6-12(7-9-14)16(24)22-26)17(25)13-4-3-5-15(10-13)27-18(19,20)21/h3-11,26H,1-2H3,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50595335
(CHEMBL5181059)Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1C(=O)NCCCCNc1ccc(c2nonc12)S(=O)(=O)N(C)C | 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 | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116821
BindingDB Entry DOI: 10.7270/Q2CJ8JGG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50397360
(CHEMBL2170177 | US10188756, Compound CN110)Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116821
BindingDB Entry DOI: 10.7270/Q2CJ8JGG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50542224
(CHEMBL4637226)Show SMILES ONC(=O)c1ccc(cc1)N(CC1CC1)C(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H17F3N2O3/c20-19(21,22)15-3-1-2-14(10-15)18(26)24(11-12-4-5-12)16-8-6-13(7-9-16)17(25)23-27/h1-3,6-10,12,27H,4-5,11H2,(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50542226
(CHEMBL4637798)Show SMILES CC(C)(C)c1cccc(c1)C(=O)N(CC1CC1)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C22H26N2O3/c1-22(2,3)18-6-4-5-17(13-18)21(26)24(14-15-7-8-15)19-11-9-16(10-12-19)20(25)23-27/h4-6,9-13,15,27H,7-8,14H2,1-3H3,(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50105327
(JNJ-26481585 | Quisinostat)Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Binding affinity to human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells by ITC method |
J Med Chem 61: 10000-10016 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01087
BindingDB Entry DOI: 10.7270/Q2VM4FT7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50542212
(CHEMBL4640819)Show SMILES CCN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c1cccc(c1)C(C)(C)C Show InChI InChI=1S/C19H24N2O4S/c1-5-21(16-11-9-14(10-12-16)18(22)20-23)26(24,25)17-8-6-7-15(13-17)19(2,3)4/h6-13,23H,5H2,1-4H3,(H,20,22) | 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 | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50542233
(CHEMBL4642398)Show SMILES CC(C)N(C(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H34N2O3/c1-16(2)27(21-11-9-17(10-12-21)22(28)26-30)23(29)18-13-19(24(3,4)5)15-20(14-18)25(6,7)8/h9-16,30H,1-8H3,(H,26,28) | 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 | n/a | 26 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50542211
(CHEMBL4649514)Show SMILES CCN(C(=O)c1cccc(c1)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H24N2O3/c1-5-22(17-11-9-14(10-12-17)18(23)21-25)19(24)15-7-6-8-16(13-15)20(2,3)4/h6-13,25H,5H2,1-4H3,(H,21,23) | 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 | n/a | 26 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50542213
(CHEMBL4641613)Show SMILES CCN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C17H15F3N2O3/c1-2-22(14-8-6-11(7-9-14)15(23)21-25)16(24)12-4-3-5-13(10-12)17(18,19)20/h3-10,25H,2H2,1H3,(H,21,23) | 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 | n/a | 38 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50542214
(CHEMBL4643791)Show SMILES CCN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H15F3N2O4S/c1-2-21(13-8-6-11(7-9-13)15(22)20-23)26(24,25)14-5-3-4-12(10-14)16(17,18)19/h3-10,23H,2H2,1H3,(H,20,22) | 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 | n/a | 46 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50397360
(CHEMBL2170177 | US10188756, Compound CN110)Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Binding affinity to human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells by ITC method |
J Med Chem 61: 10000-10016 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01087
BindingDB Entry DOI: 10.7270/Q2VM4FT7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50399672
(CHEMBL2178342)Show InChI InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Binding affinity to human His-thioredoxin-tagged HDAC8 expressed in Escherichia coli BL21 (DE3) cells by ITC method |
J Med Chem 61: 10000-10016 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01087
BindingDB Entry DOI: 10.7270/Q2VM4FT7 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50542215
(CHEMBL4640536)Show SMILES CCN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H14F6N2O4S/c1-2-25(13-5-3-10(4-6-13)15(26)24-27)30(28,29)14-8-11(16(18,19)20)7-12(9-14)17(21,22)23/h3-9,27H,2H2,1H3,(H,24,26) | 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 | n/a | 95 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50542216
(CHEMBL4642047)Show SMILES CCN(C(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C24H32N2O3/c1-8-26(20-11-9-16(10-12-20)21(27)25-29)22(28)17-13-18(23(2,3)4)15-19(14-17)24(5,6)7/h9-15,29H,8H2,1-7H3,(H,25,27) | 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 | n/a | 95 | n/a | n/a | n/a | n/a | n/a |
University of Toronto Mississauga
Curated by ChEMBL
| Assay Description
Binding affinity to His-tagged recombinant human HDAC8 by SPR assay |
J Med Chem 63: 8634-8648 (2020)
Article DOI: 10.1021/acs.jmedchem.0c01025
BindingDB Entry DOI: 10.7270/Q2CC1470 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 390 | n/a | n/a | n/a | 7.5 | n/a |
North Dakota State University
| Assay Description
A fixed concentration of 1.5 µM was titrated with an increasing concentration of the respective inhibitor in protein storage buffer containing 5... |
Biochemistry 52: 8139-49 (2013)
Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2TM78T0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a |
North Dakota State University
| Assay Description
To determine the dissociation rate of the inhibitor, 1 µM HDAC8 and 20 µM inhibitor (syringe I) were mixed with 100 µM c-SAHA (syringe... |
Biochemistry 52: 8139-49 (2013)
Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2TM78T0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 8
(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
MMDB
PDB
PubMed
| n/a | n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant HDAC8 by fluorescence assay |
Medchemcomm 6: 613-618 (2015)
BindingDB Entry DOI: 10.7270/Q2H70HPV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 8
(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
MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | 7.5 | n/a |
North Dakota State University
| Assay Description
A fixed concentration of 1.5 µM was titrated with an increasing concentration of the respective inhibitor in protein storage buffer containing 5... |
Biochemistry 52: 8139-49 (2013)
Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2TM78T0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361267
(CHEMBL1934909)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cccc2cc3ccccc3cc12 Show InChI InChI=1S/C22H12F12N2O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(38)36-39)15(37)35-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9,39H,(H,35,37)(H,36,38) | 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 | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361259
(CHEMBL1934901)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C17H9F12N3O3S/c18-12(19,9(33)31-11-30-8(6-36-11)7-4-2-1-3-5-7)14(22,23)16(26,27)17(28,29)15(24,25)13(20,21)10(34)32-35/h1-6,35H,(H,32,34)(H,30,31,33) | 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 | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(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
MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361264
(CHEMBL1934906)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C20H12F12N2O3/c21-15(22,13(35)33-12-9-5-4-8-11(12)10-6-2-1-3-7-10)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34-37/h1-9,37H,(H,33,35)(H,34,36) | 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 | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361266
(CHEMBL1934908)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cc2ccccc2c2ccccc12 Show InChI InChI=1S/C22H12F12N2O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(38)36-39)15(37)35-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,39H,(H,35,37)(H,36,38) | 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 | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(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
MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a |
North Dakota State University
| Assay Description
To determine the dissociation rate of the inhibitor, 1 µM HDAC8 and 20 µM inhibitor (syringe I) were mixed with 100 µM c-SAHA (syringe... |
Biochemistry 52: 8139-49 (2013)
Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2TM78T0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361256
(CHEMBL1934898)Show SMILES CCc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1 Show InChI InChI=1S/C16H12F12N2O3/c1-2-7-4-3-5-8(6-7)29-9(31)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(32)30-33/h3-6,33H,2H2,1H3,(H,29,31)(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 | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361254
(CHEMBL1934896)Show SMILES Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1C Show InChI InChI=1S/C16H12F12N2O3/c1-6-3-4-8(5-7(6)2)29-9(31)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(32)30-33/h3-5,33H,1-2H3,(H,29,31)(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 | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361248
(CHEMBL1934890)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1 Show InChI InChI=1S/C14H8F12N2O3/c15-9(16,7(29)27-6-4-2-1-3-5-6)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(30)28-31/h1-5,31H,(H,27,29)(H,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361261
(CHEMBL1934903)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C18H10F12N2O3/c19-13(20,11(33)31-10-7-3-5-8-4-1-2-6-9(8)10)15(23,24)17(27,28)18(29,30)16(25,26)14(21,22)12(34)32-35/h1-7,35H,(H,31,33)(H,32,34) | 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 | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361249
(CHEMBL1934891)Show SMILES Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1 Show InChI InChI=1S/C15H10F12N2O3/c1-6-2-4-7(5-3-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(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 | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361252
(CHEMBL1934894)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1)C#N Show InChI InChI=1S/C15H7F12N3O3/c16-10(17,8(31)29-7-3-1-6(5-28)2-4-7)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(32)30-33/h1-4,33H,(H,29,31)(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 | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361250
(CHEMBL1934892)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C14H7ClF12N2O3/c15-5-1-3-6(4-2-5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(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 | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361253
(CHEMBL1934895)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(I)cc1 Show InChI InChI=1S/C14H7F12IN2O3/c15-9(16,7(30)28-6-3-1-5(27)2-4-6)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(31)29-32/h1-4,32H,(H,28,30)(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 | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361251
(CHEMBL1934893)Show SMILES CC(=O)Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1 Show InChI InChI=1S/C16H11F12N3O4/c1-6(32)29-7-2-4-8(5-3-7)30-9(33)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(34)31-35/h2-5,35H,1H3,(H,29,32)(H,30,33)(H,31,34) | 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 | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361258
(CHEMBL1934900)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2ccc3cccc4ccc1c2c34 Show InChI InChI=1S/C24H12F12N2O3/c25-19(26,21(29,30)23(33,34)24(35,36)22(31,32)20(27,28)18(40)38-41)17(39)37-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,41H,(H,37,39)(H,38,40) | 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 | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361263
(CHEMBL1934905)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C18H10F12N2O3/c19-13(20,11(33)31-10-6-5-8-3-1-2-4-9(8)7-10)15(23,24)17(27,28)18(29,30)16(25,26)14(21,22)12(34)32-35/h1-7,35H,(H,31,33)(H,32,34) | 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 | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361255
(CHEMBL1934897)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H12F12N2O3/c21-15(22,13(35)33-12-8-6-11(7-9-12)10-4-2-1-3-5-10)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34-37/h1-9,37H,(H,33,35)(H,34,36) | 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 | n/a | 5.70E+4 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361265
(CHEMBL1934907)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C22H12F12N2O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(38)36-39)15(37)35-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,39H,(H,35,37)(H,36,38) | 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 | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361262
(CHEMBL1934904)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H12F12N2O3/c21-15(22,13(35)33-12-8-4-7-11(9-12)10-5-2-1-3-6-10)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34-37/h1-9,37H,(H,33,35)(H,34,36) | 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 | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361260
(CHEMBL1934902)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1)-c1cnnn1-c1ccccc1 Show InChI InChI=1S/C22H13F12N5O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(41)37-42)15(40)36-12-8-6-11(7-9-12)14-10-35-38-39(14)13-4-2-1-3-5-13/h1-10,42H,(H,36,40)(H,37,41) | 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 | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361268
(CHEMBL1934910)Show SMILES FC(F)(C(=O)Nc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H12F12N2O2/c21-15(22,13(35)33-11-7-3-1-4-8-11)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34-12-9-5-2-6-10-12/h1-10H,(H,33,35)(H,34,36) | 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 | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50361257
(CHEMBL1934899)Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1)-c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C22H13F12N5O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(41)37-42)15(40)35-12-8-6-11(7-9-12)14-10-39(38-36-14)13-4-2-1-3-5-13/h1-10,42H,(H,35,40)(H,37,41) | 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 | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
University of Applied Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HDAC8 using Boc-L-Lys(trifluoroacetyl)-MCA as substrate by fluorogenic enzymatic assay |
Bioorg Med Chem 20: 985-95 (2012)
Article DOI: 10.1016/j.bmc.2011.11.041
BindingDB Entry DOI: 10.7270/Q2QJ7HRC |
More data for this
Ligand-Target Pair | |
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