Found 12 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)) | BDBM50424201
(CHEMBL2312466)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cnc3ncccn23)cc1 Show InChI InChI=1S/C24H20N8O/c25-18-4-1-2-5-19(18)30-22(33)17-8-6-16(7-9-17)14-28-23-26-12-10-20(31-23)21-15-29-24-27-11-3-13-32(21)24/h1-13,15H,14,25H2,(H,30,33)(H,26,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
The General Hospital of Chinese People's Liberation Army
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 23: 179-82 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.114
BindingDB Entry DOI: 10.7270/Q29K4CJH |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50424202
(CHEMBL2312465)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cnc3ccccn23)cc1 Show InChI InChI=1S/C25H21N7O/c26-19-5-1-2-6-20(19)30-24(33)18-10-8-17(9-11-18)15-29-25-27-13-12-21(31-25)22-16-28-23-7-3-4-14-32(22)23/h1-14,16H,15,26H2,(H,30,33)(H,27,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
The General Hospital of Chinese People's Liberation Army
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 23: 179-82 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.114
BindingDB Entry DOI: 10.7270/Q29K4CJH |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50424197
(CHEMBL2312459)Show SMILES Cc1nc2cnccn2c1-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C25H22N8O/c1-16-23(33-13-12-27-15-22(33)30-16)21-10-11-28-25(32-21)29-14-17-6-8-18(9-7-17)24(34)31-20-5-3-2-4-19(20)26/h2-13,15H,14,26H2,1H3,(H,31,34)(H,28,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
The General Hospital of Chinese People's Liberation Army
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 23: 179-82 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.114
BindingDB Entry DOI: 10.7270/Q29K4CJH |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50424194
(CHEMBL2312462)Show SMILES Cc1nc2ccccn2c1-c1ccnc(NCc2ccc(cc2)C(=O)Nc2cc(F)ccc2N)n1 Show InChI InChI=1S/C26H22FN7O/c1-16-24(34-13-3-2-4-23(34)31-16)21-11-12-29-26(33-21)30-15-17-5-7-18(8-6-17)25(35)32-22-14-19(27)9-10-20(22)28/h2-14H,15,28H2,1H3,(H,32,35)(H,29,30,33) | 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 | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
The General Hospital of Chinese People's Liberation Army
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 23: 179-82 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.114
BindingDB Entry DOI: 10.7270/Q29K4CJH |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50424199
(CHEMBL2312457)Show SMILES Cc1nc2ccccn2c1-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C26H23N7O/c1-17-24(33-15-5-4-8-23(33)30-17)22-13-14-28-26(32-22)29-16-18-9-11-19(12-10-18)25(34)31-21-7-3-2-6-20(21)27/h2-15H,16,27H2,1H3,(H,31,34)(H,28,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
The General Hospital of Chinese People's Liberation Army
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 23: 179-82 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.114
BindingDB Entry DOI: 10.7270/Q29K4CJH |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50424200
(CHEMBL2312456)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cnc3cnccn23)cc1 Show InChI InChI=1S/C24H20N8O/c25-18-3-1-2-4-19(18)30-23(33)17-7-5-16(6-8-17)13-29-24-27-10-9-20(31-24)21-14-28-22-15-26-11-12-32(21)22/h1-12,14-15H,13,25H2,(H,30,33)(H,27,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
The General Hospital of Chinese People's Liberation Army
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 23: 179-82 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.114
BindingDB Entry DOI: 10.7270/Q29K4CJH |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50424192
(CHEMBL2312464)Show SMILES Cc1nc2ccc(Br)cn2c1-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C26H22BrN7O/c1-16-24(34-15-19(27)10-11-23(34)31-16)22-12-13-29-26(33-22)30-14-17-6-8-18(9-7-17)25(35)32-21-5-3-2-4-20(21)28/h2-13,15H,14,28H2,1H3,(H,32,35)(H,29,30,33) | 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 | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
The General Hospital of Chinese People's Liberation Army
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 23: 179-82 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.114
BindingDB Entry DOI: 10.7270/Q29K4CJH |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50424198
(CHEMBL2312458)Show SMILES Cc1nc2ncccn2c1-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C25H22N8O/c1-16-22(33-14-4-12-28-25(33)30-16)21-11-13-27-24(32-21)29-15-17-7-9-18(10-8-17)23(34)31-20-6-3-2-5-19(20)26/h2-14H,15,26H2,1H3,(H,31,34)(H,27,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
The General Hospital of Chinese People's Liberation Army
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 23: 179-82 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.114
BindingDB Entry DOI: 10.7270/Q29K4CJH |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50424196
(CHEMBL2312460)Show SMILES Cc1nc2ccccn2c1-c1ccnc(NCCc2ccc(cc2)C(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C27H25N7O/c1-18-25(34-17-5-4-8-24(34)31-18)23-14-16-30-27(33-23)29-15-13-19-9-11-20(12-10-19)26(35)32-22-7-3-2-6-21(22)28/h2-12,14,16-17H,13,15,28H2,1H3,(H,32,35)(H,29,30,33) | 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 | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
The General Hospital of Chinese People's Liberation Army
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 23: 179-82 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.114
BindingDB Entry DOI: 10.7270/Q29K4CJH |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50424193
(CHEMBL2312463)Show SMILES Cc1nc2ccccn2c1-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccc(F)cc2N)n1 Show InChI InChI=1S/C26H22FN7O/c1-16-24(34-13-3-2-4-23(34)31-16)22-11-12-29-26(33-22)30-15-17-5-7-18(8-6-17)25(35)32-21-10-9-19(27)14-20(21)28/h2-14H,15,28H2,1H3,(H,32,35)(H,29,30,33) | 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 | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
The General Hospital of Chinese People's Liberation Army
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 23: 179-82 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.114
BindingDB Entry DOI: 10.7270/Q29K4CJH |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50424195
(CHEMBL2312461)Show SMILES Nc1ccccc1NC(=O)c1ccc(CCNc2nccc(n2)-c2cnc3ncccn23)cc1 Show InChI InChI=1S/C25H22N8O/c26-19-4-1-2-5-20(19)31-23(34)18-8-6-17(7-9-18)10-13-27-24-28-14-11-21(32-24)22-16-30-25-29-12-3-15-33(22)25/h1-9,11-12,14-16H,10,13,26H2,(H,31,34)(H,27,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
The General Hospital of Chinese People's Liberation Army
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 23: 179-82 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.114
BindingDB Entry DOI: 10.7270/Q29K4CJH |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM24624
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 184 | n/a | n/a | n/a | n/a | n/a | n/a |
The General Hospital of Chinese People's Liberation Army
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 23: 179-82 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.114
BindingDB Entry DOI: 10.7270/Q29K4CJH |
More data for this
Ligand-Target Pair | |
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