Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50039976 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 1
(Homo sapiens (Human)) | BDBM50387112
(CHEMBL2047619)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C24H17BrN4O3/c25-19-9-11-20(12-10-19)26-23(30)15-8-18-16-28(21-4-2-1-3-5-21)27-24(18)17-6-13-22(14-7-17)29(31)32/h1-16H,(H,26,30)/b15-8- | 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 | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387111
(CHEMBL2047618)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C24H17ClN4O3/c25-19-9-11-20(12-10-19)26-23(30)15-8-18-16-28(21-4-2-1-3-5-21)27-24(18)17-6-13-22(14-7-17)29(31)32/h1-16H,(H,26,30)/b15-8- | 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 | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387112
(CHEMBL2047619)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C24H17BrN4O3/c25-19-9-11-20(12-10-19)26-23(30)15-8-18-16-28(21-4-2-1-3-5-21)27-24(18)17-6-13-22(14-7-17)29(31)32/h1-16H,(H,26,30)/b15-8- | 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 | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387111
(CHEMBL2047618)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C24H17ClN4O3/c25-19-9-11-20(12-10-19)26-23(30)15-8-18-16-28(21-4-2-1-3-5-21)27-24(18)17-6-13-22(14-7-17)29(31)32/h1-16H,(H,26,30)/b15-8- | 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 | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387110
(CHEMBL2047617)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H18N4O3/c29-23(25-20-7-3-1-4-8-20)16-13-19-17-27(21-9-5-2-6-10-21)26-24(19)18-11-14-22(15-12-18)28(30)31/h1-17H,(H,25,29)/b16-13- | 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 | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387113
(CHEMBL2047620)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1 Show InChI InChI=1S/C25H20N4O4/c1-33-23-14-10-20(11-15-23)26-24(30)16-9-19-17-28(21-5-3-2-4-6-21)27-25(19)18-7-12-22(13-8-18)29(31)32/h2-17H,1H3,(H,26,30)/b16-9- | 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 | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387105
(CHEMBL2047611)Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20BrN3O2/c1-31-23-14-7-18(8-15-23)25-19(17-29(28-25)22-5-3-2-4-6-22)9-16-24(30)27-21-12-10-20(26)11-13-21/h2-17H,1H3,(H,27,30)/b16-9- | 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 | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387098
(CHEMBL2047610)Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20ClN3O2/c1-31-23-14-7-18(8-15-23)25-19(17-29(28-25)22-5-3-2-4-6-22)9-16-24(30)27-21-12-10-20(26)11-13-21/h2-17H,1H3,(H,27,30)/b16-9- | 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 | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387110
(CHEMBL2047617)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H18N4O3/c29-23(25-20-7-3-1-4-8-20)16-13-19-17-27(21-9-5-2-6-10-21)26-24(19)18-11-14-22(15-12-18)28(30)31/h1-17H,(H,25,29)/b16-13- | 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 | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387113
(CHEMBL2047620)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1 Show InChI InChI=1S/C25H20N4O4/c1-33-23-14-10-20(11-15-23)26-24(30)16-9-19-17-28(21-5-3-2-4-6-21)27-25(19)18-7-12-22(13-8-18)29(31)32/h2-17H,1H3,(H,26,30)/b16-9- | 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 | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387099
(CHEMBL2047612)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H23N3O3/c1-31-23-13-8-19(9-14-23)26-20(18-29(28-26)22-6-4-3-5-7-22)10-17-25(30)27-21-11-15-24(32-2)16-12-21/h3-18H,1-2H3,(H,27,30)/b17-10- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387104
(CHEMBL2047609)Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H21N3O2/c1-30-23-15-12-19(13-16-23)25-20(18-28(27-25)22-10-6-3-7-11-22)14-17-24(29)26-21-8-4-2-5-9-21/h2-18H,1H3,(H,26,29)/b17-14- | 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 | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387105
(CHEMBL2047611)Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20BrN3O2/c1-31-23-14-7-18(8-15-23)25-19(17-29(28-25)22-5-3-2-4-6-22)9-16-24(30)27-21-12-10-20(26)11-13-21/h2-17H,1H3,(H,27,30)/b16-9- | 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 | 2.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387098
(CHEMBL2047610)Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20ClN3O2/c1-31-23-14-7-18(8-15-23)25-19(17-29(28-25)22-5-3-2-4-6-22)9-16-24(30)27-21-12-10-20(26)11-13-21/h2-17H,1H3,(H,27,30)/b16-9- | 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 | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387104
(CHEMBL2047609)Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H21N3O2/c1-30-23-15-12-19(13-16-23)25-20(18-28(27-25)22-10-6-3-7-11-22)14-17-24(29)26-21-8-4-2-5-9-21/h2-18H,1H3,(H,26,29)/b17-14- | 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 | 2.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387108
(CHEMBL2047615)Show SMILES Brc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H17Br2N3O/c25-19-9-6-17(7-10-19)24-18(16-29(28-24)22-4-2-1-3-5-22)8-15-23(30)27-21-13-11-20(26)12-14-21/h1-16H,(H,27,30)/b15-8- | 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 | 2.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387107
(CHEMBL2047614)Show SMILES Clc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H17BrClN3O/c25-19-9-6-17(7-10-19)24-18(16-29(28-24)22-4-2-1-3-5-22)8-15-23(30)27-21-13-11-20(26)12-14-21/h1-16H,(H,27,30)/b15-8- | 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 | 2.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387099
(CHEMBL2047612)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H23N3O3/c1-31-23-13-8-19(9-14-23)26-20(18-29(28-26)22-6-4-3-5-7-22)10-17-25(30)27-21-11-15-24(32-2)16-12-21/h3-18H,1-2H3,(H,27,30)/b17-10- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387109
(CHEMBL2047616)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H20BrN3O2/c1-31-23-14-12-21(13-15-23)27-24(30)16-9-19-17-29(22-5-3-2-4-6-22)28-25(19)18-7-10-20(26)11-8-18/h2-17H,1H3,(H,27,30)/b16-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387102
(CHEMBL2047607)Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20BrN3O/c1-18-7-9-19(10-8-18)25-20(17-29(28-25)23-5-3-2-4-6-23)11-16-24(30)27-22-14-12-21(26)13-15-22/h2-17H,1H3,(H,27,30)/b16-11- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387106
(CHEMBL2047613)Show SMILES Brc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H18BrN3O/c25-20-14-11-18(12-15-20)24-19(17-28(27-24)22-9-5-2-6-10-22)13-16-23(29)26-21-7-3-1-4-8-21/h1-17H,(H,26,29)/b16-13- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387101
(CHEMBL2047606)Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20ClN3O/c1-18-7-9-19(10-8-18)25-20(17-29(28-25)23-5-3-2-4-6-23)11-16-24(30)27-22-14-12-21(26)13-15-22/h2-17H,1H3,(H,27,30)/b16-11- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387103
(CHEMBL2047608)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H23N3O2/c1-19-8-10-20(11-9-19)26-21(18-29(28-26)23-6-4-3-5-7-23)12-17-25(30)27-22-13-15-24(31-2)16-14-22/h3-18H,1-2H3,(H,27,30)/b17-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387100
(CHEMBL2047605)Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H21N3O/c1-19-12-14-20(15-13-19)25-21(18-28(27-25)23-10-6-3-7-11-23)16-17-24(29)26-22-8-4-2-5-9-22/h2-18H,1H3,(H,26,29)/b17-16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387108
(CHEMBL2047615)Show SMILES Brc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H17Br2N3O/c25-19-9-6-17(7-10-19)24-18(16-29(28-24)22-4-2-1-3-5-22)8-15-23(30)27-21-13-11-20(26)12-14-21/h1-16H,(H,27,30)/b15-8- | 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 | 4.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387107
(CHEMBL2047614)Show SMILES Clc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H17BrClN3O/c25-19-9-6-17(7-10-19)24-18(16-29(28-24)22-4-2-1-3-5-22)8-15-23(30)27-21-13-11-20(26)12-14-21/h1-16H,(H,27,30)/b15-8- | 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 | 4.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387102
(CHEMBL2047607)Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20BrN3O/c1-18-7-9-19(10-8-18)25-20(17-29(28-25)23-5-3-2-4-6-23)11-16-24(30)27-22-14-12-21(26)13-15-22/h2-17H,1H3,(H,27,30)/b16-11- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387109
(CHEMBL2047616)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H20BrN3O2/c1-31-23-14-12-21(13-15-23)27-24(30)16-9-19-17-29(22-5-3-2-4-6-22)28-25(19)18-7-10-20(26)11-8-18/h2-17H,1H3,(H,27,30)/b16-9- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387101
(CHEMBL2047606)Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20ClN3O/c1-18-7-9-19(10-8-18)25-20(17-29(28-25)23-5-3-2-4-6-23)11-16-24(30)27-22-14-12-21(26)13-15-22/h2-17H,1H3,(H,27,30)/b16-11- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387103
(CHEMBL2047608)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H23N3O2/c1-19-8-10-20(11-9-19)26-21(18-29(28-26)23-6-4-3-5-7-23)12-17-25(30)27-22-13-15-24(31-2)16-14-22/h3-18H,1-2H3,(H,27,30)/b17-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387106
(CHEMBL2047613)Show SMILES Brc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H18BrN3O/c25-20-14-11-18(12-15-20)24-19(17-28(27-24)22-9-5-2-6-10-22)13-16-23(29)26-21-7-3-1-4-8-21/h1-17H,(H,26,29)/b16-13- | 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 | 6.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387100
(CHEMBL2047605)Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H21N3O/c1-19-12-14-20(15-13-19)25-21(18-28(27-25)23-10-6-3-7-11-23)16-17-24(29)26-22-8-4-2-5-9-22/h2-18H,1H3,(H,26,29)/b17-16- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031
BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this
Ligand-Target Pair | |
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