Found 17 hits of Enzyme Inhibition Constant Data 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)) | BDBM50213122
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-6-yl...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccn1)C(=O)Nc1ccc2ncccc2c1 Show InChI InChI=1S/C23H25N5O4/c29-21(28-32)10-3-1-2-9-20(27-22(30)19-8-4-5-13-25-19)23(31)26-17-11-12-18-16(15-17)7-6-14-24-18/h4-8,11-15,20,32H,1-3,9-10H2,(H,26,31)(H,27,30)(H,28,29)/t20-/m0/s1 | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213132
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-6-yl...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2ncccc2c1 Show InChI InChI=1S/C24H26N4O4/c29-22(28-32)12-6-2-5-11-21(27-23(30)17-8-3-1-4-9-17)24(31)26-19-13-14-20-18(16-19)10-7-15-25-20/h1,3-4,7-10,13-16,21,32H,2,5-6,11-12H2,(H,26,31)(H,27,30)(H,28,29)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213130
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-8-yl...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccn1)C(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C23H25N5O4/c29-20(28-32)13-3-1-2-11-19(27-22(30)18-10-4-5-14-24-18)23(31)26-17-12-6-8-16-9-7-15-25-21(16)17/h4-10,12,14-15,19,32H,1-3,11,13H2,(H,26,31)(H,27,30)(H,28,29)/t19-/m0/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213124
((S)-benzyl 8-(hydroxyamino)-1,8-dioxo-1-(quinolin-...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2ncccc2c1 Show InChI InChI=1S/C25H28N4O5/c30-23(29-33)12-6-2-5-11-22(28-25(32)34-17-18-8-3-1-4-9-18)24(31)27-20-13-14-21-19(16-20)10-7-15-26-21/h1,3-4,7-10,13-16,22,33H,2,5-6,11-12,17H2,(H,27,31)(H,28,32)(H,29,30)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213128
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-8-yl...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C24H26N4O4/c29-21(28-32)15-6-2-5-13-20(27-23(30)18-9-3-1-4-10-18)24(31)26-19-14-7-11-17-12-8-16-25-22(17)19/h1,3-4,7-12,14,16,20,32H,2,5-6,13,15H2,(H,26,31)(H,27,30)(H,28,29)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213135
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(phenylamino)o...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H26N4O4/c29-22(28-32)14-6-2-5-13-20(23(30)25-18-10-3-1-4-11-18)27-24(31)21-16-15-17-9-7-8-12-19(17)26-21/h1,3-4,7-12,15-16,20,32H,2,5-6,13-14H2,(H,25,30)(H,27,31)(H,28,29)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213126
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(phenylamino)o...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccn1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H24N4O4/c25-18(24-28)13-6-2-5-12-17(20(27)22-15-9-3-1-4-10-15)23-19(26)16-11-7-8-14-21-16/h1,3-4,7-11,14,17,28H,2,5-6,12-13H2,(H,22,27)(H,23,26)(H,24,25)/t17-/m0/s1 | 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 | 11.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213123
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(phenylamino)o...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C21H25N3O4/c25-19(24-28)15-9-3-8-14-18(21(27)22-17-12-6-2-7-13-17)23-20(26)16-10-4-1-5-11-16/h1-2,4-7,10-13,18,28H,3,8-9,14-15H2,(H,22,27)(H,23,26)(H,24,25)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50200895
((S)-benzyl 8-(hydroxyamino)-1,8-dioxo-1-(quinolin-...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 |r| Show InChI InChI=1S/C25H28N4O5/c30-22(29-33)15-6-2-5-13-21(28-25(32)34-17-18-9-3-1-4-10-18)24(31)27-20-14-7-11-19-12-8-16-26-23(19)20/h1,3-4,7-12,14,16,21,33H,2,5-6,13,15,17H2,(H,27,31)(H,28,32)(H,29,30)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213131
((S)-benzyl 8-(hydroxyamino)-1,8-dioxo-1-(phenylami...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C22H27N3O5/c26-20(25-29)15-9-3-8-14-19(21(27)23-18-12-6-2-7-13-18)24-22(28)30-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19,29H,3,8-9,14-16H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213133
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-8-yl...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C27H27N5O4/c33-24(32-36)14-3-1-2-12-22(26(34)30-21-13-6-9-19-10-7-17-28-25(19)21)31-27(35)23-16-15-18-8-4-5-11-20(18)29-23/h4-11,13,15-17,22,36H,1-3,12,14H2,(H,30,34)(H,31,35)(H,32,33)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50200917
((S)-benzyl 1-(benzylamino)-8-(hydroxyamino)-1,8-di...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C23H29N3O5/c27-21(26-30)15-9-3-8-14-20(22(28)24-16-18-10-4-1-5-11-18)25-23(29)31-17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20,30H,3,8-9,14-17H2,(H,24,28)(H,25,29)(H,26,27)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213127
((S)-N-(1-(benzylamino)-8-(hydroxyamino)-1,8-dioxoo...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C25H28N4O4/c30-23(29-33)14-6-2-5-13-21(24(31)26-17-18-9-3-1-4-10-18)28-25(32)22-16-15-19-11-7-8-12-20(19)27-22/h1,3-4,7-12,15-16,21,33H,2,5-6,13-14,17H2,(H,26,31)(H,28,32)(H,29,30)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 51.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213134
((S)-N-(8-(hydroxyamino)-1,8-dioxo-1-(quinolin-6-yl...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)Nc1ccc2ncccc2c1 Show InChI InChI=1S/C27H27N5O4/c33-25(32-36)11-3-1-2-10-23(26(34)29-20-13-15-21-19(17-20)8-6-16-28-21)31-27(35)24-14-12-18-7-4-5-9-22(18)30-24/h4-9,12-17,23,36H,1-3,10-11H2,(H,29,34)(H,31,35)(H,32,33)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213129
((S)-N-(1-(benzylamino)-8-(hydroxyamino)-1,8-dioxoo...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C22H27N3O4/c26-20(25-29)15-9-3-8-14-19(24-21(27)18-12-6-2-7-13-18)22(28)23-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19,29H,3,8-9,14-16H2,(H,23,28)(H,24,27)(H,25,26)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50213125
((S)-N-(1-(benzylamino)-8-(hydroxyamino)-1,8-dioxoo...)Show SMILES ONC(=O)CCCCC[C@H](NC(=O)c1ccccn1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C21H26N4O4/c26-19(25-29)13-6-2-5-12-18(24-21(28)17-11-7-8-14-22-17)20(27)23-15-16-9-3-1-4-10-16/h1,3-4,7-11,14,18,29H,2,5-6,12-13,15H2,(H,23,27)(H,24,28)(H,25,26)/t18-/m0/s1 | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC 1 |
Bioorg Med Chem Lett 17: 3969-71 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.089
BindingDB Entry DOI: 10.7270/Q2M908CJ |
More data for this
Ligand-Target Pair | |
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