Found 99 hits with Last Name = 'warstat' and Initial = 'r' 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 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)) | 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 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 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 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)) | 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)) | BDBM50559306
(CHEMBL4762202)Show SMILES COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)N1CCN(C)CC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to BRD4 BD1 (unknown origin) at 25 degree C by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478
BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559307
(CHEMBL4787841)Show SMILES COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)N1CCCCC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to BRD4 BD1 (unknown origin) at 25 degree C by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478
BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559308
(CHEMBL4776447)Show SMILES COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)N1CC2(COC2)C1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to BRD4 BD1 (unknown origin) at 25 degree C by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478
BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559309
(CHEMBL4762147)Show SMILES COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)N1CCOCC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to BRD4 BD1 (unknown origin) at 25 degree C by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478
BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559310
(CHEMBL4778822)Show SMILES COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)N1CCCCCC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to BRD4 BD1 (unknown origin) at 25 degree C by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478
BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559311
(CHEMBL4780011)Show SMILES CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2[nH]c(C)c3c2CCCCC3=O)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to BRD4 BD1 (unknown origin) at 25 degree C by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478
BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559312
(CHEMBL4747940)Show SMILES CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c3c2CCCCC3=O)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to BRD4 BD1 (unknown origin) at 25 degree C by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478
BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559313
(CHEMBL4783790) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.41E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to BRD4 BD1 (unknown origin) at 25 degree C by ITC analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478
BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559314
(CHEMBL4741587)Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc1c(O)ccc2cccc(O)c12 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 BD1 (N44 to E168 aa residues) by bromoKdELECT Discover assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478
BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50151663
(CHEMBL3774655)Show SMILES CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C)C1)-c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 BD1 (N44 to E168 aa residues) by bromoKdELECT Discover assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478
BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50266968
(CHEMBL4065619 | US11773085, Compound B27)Show SMILES CC(=O)c1cc(-c2cc(ccc2C)C(=O)NC2CC2)c2ncccn12 Show InChI InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | >990 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 BD1 (N44 to E168 aa residues) by bromoKdELECT Discover assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478
BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 BD1 (N44 to E168 aa residues) by bromoKdELECT Discover assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478
BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559306
(CHEMBL4762202)Show SMILES COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)N1CCN(C)CC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 BD1 (N44 to E168 aa residues) by bromoKdELECT Discover assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478
BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50559307
(CHEMBL4787841)Show SMILES COc1ccc(cc1NC(=O)c1[nH]c(C)c2c1CCCCC2=O)S(=O)(=O)N1CCCCC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human BRD4 BD1 (N44 to E168 aa residues) by bromoKdELECT Discover assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00478
BindingDB Entry DOI: 10.7270/Q2154MRG |
More data for this
Ligand-Target Pair | |
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