Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50002735 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)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 using RHKK(Ac) as substrate |
Eur J Med Chem 150: 667-677 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50462237
(CHEMBL4241615)Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCC(=O)NO)ccc23)c(O)cc1O Show InChI InChI=1S/C26H33N3O6/c1-16(2)19-14-20(23(31)15-22(19)30)26(34)29-12-11-17-13-18(9-10-21(17)29)27-24(32)7-5-3-4-6-8-25(33)28-35/h9-10,13-16,30-31,35H,3-8,11-12H2,1-2H3,(H,27,32)(H,28,33) | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 using RHKK(Ac) as substrate |
Eur J Med Chem 150: 667-677 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50462239
(CHEMBL4237454)Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCC(=O)NO)ccc23)c(O)cc1O Show InChI InChI=1S/C25H31N3O6/c1-15(2)18-13-19(22(30)14-21(18)29)25(33)28-11-10-16-12-17(8-9-20(16)28)26-23(31)6-4-3-5-7-24(32)27-34/h8-9,12-15,29-30,34H,3-7,10-11H2,1-2H3,(H,26,31)(H,27,32) | 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 | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 using RHKK(Ac) as substrate |
Eur J Med Chem 150: 667-677 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50462238
(CHEMBL4247905)Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCCC(=O)NO)ccc23)c(O)cc1O Show InChI InChI=1S/C27H35N3O6/c1-17(2)20-15-21(24(32)16-23(20)31)27(35)30-13-12-18-14-19(10-11-22(18)30)28-25(33)8-6-4-3-5-7-9-26(34)29-36/h10-11,14-17,31-32,36H,3-9,12-13H2,1-2H3,(H,28,33)(H,29,34) | 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 | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 using RHKK(Ac) as substrate |
Eur J Med Chem 150: 667-677 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50462236
(CHEMBL4237899)Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCCCCCC(=O)NO)ccc23)c(O)cc1O Show InChI InChI=1S/C28H37N3O6/c1-18(2)21-16-22(25(33)17-24(21)32)28(36)31-14-13-19-15-20(11-12-23(19)31)29-26(34)9-7-5-3-4-6-8-10-27(35)30-37/h11-12,15-18,32-33,37H,3-10,13-14H2,1-2H3,(H,29,34)(H,30,35) | 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 | 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 using RHKK(Ac) as substrate |
Eur J Med Chem 150: 667-677 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50462243
(CHEMBL4241177)Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCC(=O)NO)ccc23)c(O)cc1O Show InChI InChI=1S/C23H27N3O6/c1-13(2)16-11-17(20(28)12-19(16)27)23(31)26-9-8-14-10-15(6-7-18(14)26)24-21(29)4-3-5-22(30)25-32/h6-7,10-13,27-28,32H,3-5,8-9H2,1-2H3,(H,24,29)(H,25,30) | 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 | 2.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 using RHKK(Ac) as substrate |
Eur J Med Chem 150: 667-677 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50462242
(CHEMBL4245392)Show SMILES CC(C)c1cc(C(=O)N2CCc3cc(NC(=O)CCCCC(=O)NO)ccc23)c(O)cc1O Show InChI InChI=1S/C24H29N3O6/c1-14(2)17-12-18(21(29)13-20(17)28)24(32)27-10-9-15-11-16(7-8-19(15)27)25-22(30)5-3-4-6-23(31)26-33/h7-8,11-14,28-29,33H,3-6,9-10H2,1-2H3,(H,25,30)(H,26,31) | 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 | 4.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC1 using RHKK(Ac) as substrate |
Eur J Med Chem 150: 667-677 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.006
BindingDB Entry DOI: 10.7270/Q2XW4NGM |
More data for this
Ligand-Target Pair | |
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