Found 24 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)) | BDBM50175036
(CHEMBL3809599)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc([nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C18H11Cl2F3N2OS/c19-13-2-1-3-14(20)12(13)8-16-24-9-15(27-16)17(26)25-11-6-4-10(5-7-11)18(21,22)23/h1-7,9H,8H2,(H,25,26) | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175039
(CHEMBL3808639)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C17H13Cl2N3O2S/c1-24-15-6-5-10(8-20-15)21-17(23)14-9-25-16(22-14)7-11-12(18)3-2-4-13(11)19/h2-6,8-9H,7H2,1H3,(H,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175038
(CHEMBL3810162)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C18H12Cl2F3N3O/c19-13-2-1-3-14(20)12(13)8-16-24-9-15(26-16)17(27)25-11-6-4-10(5-7-11)18(21,22)23/h1-7,9H,8H2,(H,24,26)(H,25,27) | 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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175064
(CHEMBL3809530)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2cc(ncc2c1)C(F)(F)F |r| Show InChI InChI=1S/C25H25F3N6O2S/c1-29-22(35)6-4-2-3-5-18(34-24(36)20-13-30-14-37-20)23-32-12-19(33-23)16-8-7-15-10-21(25(26,27)28)31-11-17(15)9-16/h7-14,18H,2-6H2,1H3,(H,29,35)(H,32,33)(H,34,36)/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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175041
(CHEMBL3809034)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C19H16Cl2N2OS/c1-2-12-6-8-13(9-7-12)22-19(24)17-11-25-18(23-17)10-14-15(20)4-3-5-16(14)21/h3-9,11H,2,10H2,1H3,(H,22,24) | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50175035
(CHEMBL3808866)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc(cc1)-c1ccn[nH]1 |r| Show InChI InChI=1S/C18H10ClF6N3OS/c19-12-3-1-2-11(18(23,24)25)14(12)28-16-27-13(8-30-16)15(29)26-10-6-4-9(5-7-10)17(20,21)22/h1-8H,(H,26,29)(H,27,28) | PDB
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 | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of human HDAC3 |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175037
(CHEMBL3808986)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)C12CCN(CC1)CC2)c1ncc([nH]1)-c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C18H11Cl2N3OS/c19-14-2-1-3-15(20)13(14)8-17-23-16(10-25-17)18(24)22-12-6-4-11(9-21)5-7-12/h1-7,10H,8H2,(H,22,24) | 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 | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175063
(CHEMBL3808977)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2cc(OC)ncc2c1 |r| Show InChI InChI=1S/C25H28N6O3S/c1-26-22(32)7-5-3-4-6-19(31-25(33)21-14-27-15-35-21)24-29-13-20(30-24)17-9-8-16-11-23(34-2)28-12-18(16)10-17/h8-15,19H,3-7H2,1-2H3,(H,26,32)(H,29,30)(H,31,33)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175060
(CHEMBL3809171)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2ccncc2c1 |r| Show InChI InChI=1S/C24H26N6O2S/c1-25-22(31)6-4-2-3-5-19(30-24(32)21-14-27-15-33-21)23-28-13-20(29-23)17-8-7-16-9-10-26-12-18(16)11-17/h7-15,19H,2-6H2,1H3,(H,25,31)(H,28,29)(H,30,32)/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 | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175044
(CHEMBL3809231)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C19H14Cl2F3N3O/c1-27-10-16(26-17(27)9-13-14(20)3-2-4-15(13)21)18(28)25-12-7-5-11(6-8-12)19(22,23)24/h2-8,10H,9H2,1H3,(H,25,28) | 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 | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175040
(CHEMBL3810111)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)Cn1ccnn1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C19H16F3N3OS/c1-11-4-3-5-12(2)16(11)25-18-24-15(10-27-18)17(26)23-14-8-6-13(7-9-14)19(20,21)22/h3-10H,1-2H3,(H,23,26)(H,24,25) | 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 | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175035
(CHEMBL3808866)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc(cc1)-c1ccn[nH]1 |r| Show InChI InChI=1S/C18H10ClF6N3OS/c19-12-3-1-2-11(18(23,24)25)14(12)28-16-27-13(8-30-16)15(29)26-10-6-4-9(5-7-10)17(20,21)22/h1-8H,(H,26,29)(H,27,28) | 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 | 1.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175045
(CHEMBL3808864)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2[nH]ncc2c1 |r| Show InChI InChI=1S/C17H9Cl2F3N2OS/c18-11-2-1-3-12(19)14(11)16-24-13(8-26-16)15(25)23-10-6-4-9(5-7-10)17(20,21)22/h1-8H,(H,23,25) | 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 | 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175067
(CHEMBL3809999)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc(cc1)-c1cscn1 |r| Show InChI InChI=1S/C24H26N6O2S2/c1-25-22(31)6-4-2-3-5-18(30-24(32)21-12-26-14-34-21)23-27-11-19(29-23)16-7-9-17(10-8-16)20-13-33-15-28-20/h7-15,18H,2-6H2,1H3,(H,25,31)(H,27,29)(H,30,32)/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 | 2.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175066
(CHEMBL3810053)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C24H27N7O2S/c1-25-22(32)7-4-2-3-6-19(30-24(33)21-15-26-16-34-21)23-27-14-20(29-23)17-8-10-18(11-9-17)31-13-5-12-28-31/h5,8-16,19H,2-4,6-7H2,1H3,(H,25,32)(H,27,29)(H,30,33)/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 | 2.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175043
(CHEMBL3809454)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1cccc2cccnc12 |r| Show InChI InChI=1S/C17H12Cl2N2OS/c18-13-7-4-8-14(19)12(13)9-16-21-15(10-23-16)17(22)20-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,22) | 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 | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175046
(CHEMBL3809931)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2[nH]cnc2c1 |r| Show InChI InChI=1S/C17H11BrCl2N2OS/c18-10-4-6-11(7-5-10)21-17(23)15-9-24-16(22-15)8-12-13(19)2-1-3-14(12)20/h1-7,9H,8H2,(H,21,23) | 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 | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175065
(CHEMBL3808426)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1cc2ccccc2[nH]c1=O |r| Show InChI InChI=1S/C24H26N6O3S/c1-25-21(31)10-4-2-3-9-18(30-24(33)20-13-26-14-34-20)22-27-12-19(28-22)16-11-15-7-5-6-8-17(15)29-23(16)32/h5-8,11-14,18H,2-4,9-10H2,1H3,(H,25,31)(H,27,28)(H,29,32)(H,30,33)/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 | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175062
(CHEMBL3810196)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2ccnc(OC)c2c1 |r| Show InChI InChI=1S/C25H28N6O3S/c1-26-22(32)7-5-3-4-6-19(31-24(33)21-14-27-15-35-21)23-29-13-20(30-23)17-9-8-16-10-11-28-25(34-2)18(16)12-17/h8-15,19H,3-7H2,1-2H3,(H,26,32)(H,29,30)(H,31,33)/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 | 2.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175061
(CHEMBL3809732)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H29N5O2S/c1-28-25(33)11-7-3-6-10-22(32-27(34)24-17-29-18-35-24)26-30-16-23(31-26)21-14-12-20(13-15-21)19-8-4-2-5-9-19/h2,4-5,8-9,12-18,22H,3,6-7,10-11H2,1H3,(H,28,33)(H,30,31)(H,32,34)/t22-/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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175048
(CHEMBL3810335)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2cccnc2c1 |r| Show InChI InChI=1S/C17H10Cl2F3N3OS/c18-11-2-1-3-12(19)14(11)25-16-24-13(8-27-16)15(26)23-10-6-4-9(5-7-10)17(20,21)22/h1-8H,(H,23,26)(H,24,25) | 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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175047
(CHEMBL3809504)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2[nH]nnc2c1 |r| Show InChI InChI=1S/C17H9Cl2F3N2O2S/c18-11-2-1-3-12(19)14(11)26-16-24-13(8-27-16)15(25)23-10-6-4-9(5-7-10)17(20,21)22/h1-8H,(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50175042
(CHEMBL3810397)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc2ccccc2c1C |r| Show InChI InChI=1S/C18H14Cl2N2O2S/c1-24-12-7-5-11(6-8-12)21-18(23)16-10-25-17(22-16)9-13-14(19)3-2-4-15(13)20/h2-8,10H,9H2,1H3,(H,21,23) | 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 | 2.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged HDAC1 expressed in insect cells preincubated for 10 mins followed by addition of FLUOR DE LYS as fluoresce... |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50175035
(CHEMBL3808866)Show SMILES CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc([nH]1)-c1ccc(cc1)-c1ccn[nH]1 |r| Show InChI InChI=1S/C18H10ClF6N3OS/c19-12-3-1-2-11(18(23,24)25)14(12)28-16-27-13(8-30-16)15(29)26-10-6-4-9(5-7-10)17(20,21)22/h1-8H,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM Science Park
Curated by ChEMBL
| Assay Description
Inhibition of human ERG after 4 hrs by fluorescence polarization assay |
ACS Med Chem Lett 7: 454-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00468
BindingDB Entry DOI: 10.7270/Q2S184FM |
More data for this
Ligand-Target Pair | |
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