Found 71 hits with Last Name = 'kraft' and Initial = 'fb' 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)) | BDBM50587250
(CHEMBL5077168)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(\C=C\C(=O)NO)ccc1OC | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50587249
(CHEMBL5094795)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(\C=C\C(=O)NO)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50587251
(CHEMBL5080049)Show SMILES COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
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 | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50587251
(CHEMBL5080049)Show SMILES COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HDAC3 assessed as target activity using fluorogenic substrate ZMAL for 90 min by microplate reader at 355nm |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50587252
(CHEMBL5083849)Show SMILES Cc1[nH]c(C(=O)Nc2cc(ccc2OCCCCCCCC(=O)NO)S(=O)(=O)N2CCOCC2)c2CCCCC(=O)c12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50587257
(CHEMBL5092849)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(ccc1OC)S(=O)(=O)Nc1cccc(\C=C\C(=O)NO)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50587256
(CHEMBL5079915)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(\C=C\C(=O)NO)ccc1O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50587251
(CHEMBL5080049)Show SMILES COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 | 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 | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50587257
(CHEMBL5092849)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(ccc1OC)S(=O)(=O)Nc1cccc(\C=C\C(=O)NO)c1 | 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 | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(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
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 | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HDAC3 assessed as target activity using fluorogenic substrate ZMAL for 90 min by microplate reader at 355nm |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50587250
(CHEMBL5077168)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(\C=C\C(=O)NO)ccc1OC | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HDAC3 assessed as target activity using fluorogenic substrate ZMAL for 90 min by microplate reader at 355nm |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50587249
(CHEMBL5094795)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(\C=C\C(=O)NO)c1 | 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 | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50587256
(CHEMBL5079915)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(\C=C\C(=O)NO)ccc1O | 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 | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50587249
(CHEMBL5094795)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(\C=C\C(=O)NO)c1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HDAC3 assessed as target activity using fluorogenic substrate ZMAL for 90 min by microplate reader at 355nm |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50587252
(CHEMBL5083849)Show SMILES Cc1[nH]c(C(=O)Nc2cc(ccc2OCCCCCCCC(=O)NO)S(=O)(=O)N2CCOCC2)c2CCCCC(=O)c12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 163 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50587249
(CHEMBL5094795)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(\C=C\C(=O)NO)c1 | 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 | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HDAC2 assessed as target activity using fluorogenic substrate ZMAL for 90 min by microplate reader at 355nm |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(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 | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HDAC2 assessed as target activity using fluorogenic substrate ZMAL for 90 min by microplate reader at 355nm |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50587250
(CHEMBL5077168)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(\C=C\C(=O)NO)ccc1OC | 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 | 179 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50587251
(CHEMBL5080049)Show SMILES COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 | 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 | 208 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HDAC2 assessed as target activity using fluorogenic substrate ZMAL for 90 min by microplate reader at 355nm |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50587252
(CHEMBL5083849)Show SMILES Cc1[nH]c(C(=O)Nc2cc(ccc2OCCCCCCCC(=O)NO)S(=O)(=O)N2CCOCC2)c2CCCCC(=O)c12 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 296 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HDAC3 assessed as target activity using fluorogenic substrate ZMAL for 90 min by microplate reader at 355nm |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50587260
(CHEMBL5088769)Show SMILES Cc1c2c(CCCCC2=O)c(C(=O)Nc2cc(ccc2OCCCCCCCC(=O)NO)S(=O)(=O)N2CCOCC2)n1C | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50587260
(CHEMBL5088769)Show SMILES Cc1c2c(CCCCC2=O)c(C(=O)Nc2cc(ccc2OCCCCCCCC(=O)NO)S(=O)(=O)N2CCOCC2)n1C | 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 | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50587250
(CHEMBL5077168)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(\C=C\C(=O)NO)ccc1OC | 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 | 359 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HDAC2 assessed as target activity using fluorogenic substrate ZMAL for 90 min by microplate reader at 355nm |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50587252
(CHEMBL5083849)Show SMILES Cc1[nH]c(C(=O)Nc2cc(ccc2OCCCCCCCC(=O)NO)S(=O)(=O)N2CCOCC2)c2CCCCC(=O)c12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 534 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HDAC2 assessed as target activity using fluorogenic substrate ZMAL for 90 min by microplate reader at 355nm |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50587259
(CHEMBL5075423) | 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 | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50587253
(CHEMBL5094765)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(CCC(=O)NO)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 658 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50587253
(CHEMBL5094765)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(CCC(=O)NO)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50587259
(CHEMBL5075423) | 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 | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50587258
(CHEMBL5091031)Show SMILES COC(=O)CCCCCCCOc1ccc(cc1NC(=O)c1c2CCCCC(=O)c2c(C)n1C)S(=O)(=O)N1CCOCC1 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50587258
(CHEMBL5091031)Show SMILES COC(=O)CCCCCCCOc1ccc(cc1NC(=O)c1c2CCCCC(=O)c2c(C)n1C)S(=O)(=O)N1CCOCC1 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50587254
(CHEMBL5069833)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(CCC(=O)Nc2ccccc2N)c1 | 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 | 2.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50587255
(CHEMBL5080169)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(CCC(=O)OC)c1 | 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 | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC1 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50587255
(CHEMBL5080169)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(CCC(=O)OC)c1 | 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 | >3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50587254
(CHEMBL5069833)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(CCC(=O)Nc2ccccc2N)c1 | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant HDAC6 assessed as fluorescence using fluorogenic substrate ZMAL incubated for 90 min by microplate reader |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50587253
(CHEMBL5094765)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(CCC(=O)NO)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 domain 1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50587249
(CHEMBL5094795)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(\C=C\C(=O)NO)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 domain 1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50587254
(CHEMBL5069833)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(CCC(=O)Nc2ccccc2N)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.92E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 domain 1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50587255
(CHEMBL5080169)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(CCC(=O)OC)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.26E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 domain 1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50158909
(CHEMBL3787231)Show SMILES CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1 Show InChI InChI=1S/C20H27N3O5S/c1-6-15-18(13(5)24)12(4)21-19(15)20(26)22-16-11-14(9-10-17(16)25)29(27,28)23(7-2)8-3/h9-11,21,25H,6-8H2,1-5H3,(H,22,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 domain 1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50587250
(CHEMBL5077168)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(\C=C\C(=O)NO)ccc1OC | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.98E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 domain 1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50587256
(CHEMBL5079915)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(\C=C\C(=O)NO)ccc1O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.66E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 domain 1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50587257
(CHEMBL5092849)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(ccc1OC)S(=O)(=O)Nc1cccc(\C=C\C(=O)NO)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.67E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 domain 1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50587251
(CHEMBL5080049)Show SMILES COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)n1ccc(\C=C\C(=O)NO)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 domain 1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50587252
(CHEMBL5083849)Show SMILES Cc1[nH]c(C(=O)Nc2cc(ccc2OCCCCCCCC(=O)NO)S(=O)(=O)N2CCOCC2)c2CCCCC(=O)c12 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 domain 1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50587258
(CHEMBL5091031)Show SMILES COC(=O)CCCCCCCOc1ccc(cc1NC(=O)c1c2CCCCC(=O)c2c(C)n1C)S(=O)(=O)N1CCOCC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 domain 1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50587249
(CHEMBL5094795)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cccc(\C=C\C(=O)NO)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD3 domain 2 assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50158909
(CHEMBL3787231)Show SMILES CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1 Show InChI InChI=1S/C20H27N3O5S/c1-6-15-18(13(5)24)12(4)21-19(15)20(26)22-16-11-14(9-10-17(16)25)29(27,28)23(7-2)8-3/h9-11,21,25H,6-8H2,1-5H3,(H,22,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD3 domain 2 assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50587250
(CHEMBL5077168)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(\C=C\C(=O)NO)ccc1OC | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 7.55E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD3 domain 2 assessed as dissociation constant by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01119
BindingDB Entry DOI: 10.7270/Q29Z98S3 |
More data for this
Ligand-Target Pair | |
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