Found 22 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
(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
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC (unknown origin) |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of BRD4(1) (unknown origin) |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365262
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
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CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by bromodomain alphascreen peptide displacement assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | 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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using of Fluor-de-Lys substrate incubated for 10 mins by fluorimetric assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50180980
(CHEMBL3818594)Show SMILES Cc1noc(C)c1-c1cc(NC(=O)CCCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H29N3O5/c1-17-25(18(2)34-29-17)20-14-21(26(32)19-10-6-5-7-11-19)16-22(15-20)27-23(30)12-8-3-4-9-13-24(31)28-33/h5-7,10-11,14-16,33H,3-4,8-9,12-13H2,1-2H3,(H,27,30)(H,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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using of Fluor-de-Lys substrate incubated for 10 mins by fluorimetric assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50180981
(CHEMBL3818026)Show SMILES Cc1noc(C)c1-c1cc(NC(=O)CCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H27N3O5/c1-16-24(17(2)33-28-16)19-13-20(25(31)18-9-5-3-6-10-18)15-21(14-19)26-22(29)11-7-4-8-12-23(30)27-32/h3,5-6,9-10,13-15,32H,4,7-8,11-12H2,1-2H3,(H,26,29)(H,27,30) | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using of Fluor-de-Lys substrate incubated for 10 mins by fluorimetric assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50180979
(CHEMBL3818246)Show InChI InChI=1S/C18H23N3O4/c1-12-18(13(2)25-21-12)14-7-6-8-15(11-14)19-16(22)9-4-3-5-10-17(23)20-24/h6-8,11,24H,3-5,9-10H2,1-2H3,(H,19,22)(H,20,23) | 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 | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using of Fluor-de-Lys substrate incubated for 10 mins by fluorimetric assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50180980
(CHEMBL3818594)Show SMILES Cc1noc(C)c1-c1cc(NC(=O)CCCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H29N3O5/c1-17-25(18(2)34-29-17)20-14-21(26(32)19-10-6-5-7-11-19)16-22(15-20)27-23(30)12-8-3-4-9-13-24(31)28-33/h5-7,10-11,14-16,33H,3-4,8-9,12-13H2,1-2H3,(H,27,30)(H,28,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by bromodomain alphascreen peptide displacement assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50180982
(CHEMBL3818971)Show SMILES Cc1noc(C)c1-c1cc(NC(=O)CCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C24H25N3O5/c1-15-23(16(2)32-27-15)18-12-19(24(30)17-8-4-3-5-9-17)14-20(13-18)25-21(28)10-6-7-11-22(29)26-31/h3-5,8-9,12-14,31H,6-7,10-11H2,1-2H3,(H,25,28)(H,26,29) | 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 | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using of Fluor-de-Lys substrate incubated for 10 mins by fluorimetric assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50180983
(CHEMBL3819533)Show SMILES Cc1noc(C)c1-c1cc(OCCCCCCC(=O)NO)cc(c1)C(O)c1ccccc1 Show InChI InChI=1S/C25H30N2O5/c1-17-24(18(2)32-27-17)20-14-21(25(29)19-10-6-5-7-11-19)16-22(15-20)31-13-9-4-3-8-12-23(28)26-30/h5-7,10-11,14-16,25,29-30H,3-4,8-9,12-13H2,1-2H3,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by bromodomain alphascreen peptide displacement assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50180982
(CHEMBL3818971)Show SMILES Cc1noc(C)c1-c1cc(NC(=O)CCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C24H25N3O5/c1-15-23(16(2)32-27-15)18-12-19(24(30)17-8-4-3-5-9-17)14-20(13-18)25-21(28)10-6-7-11-22(29)26-31/h3-5,8-9,12-14,31H,6-7,10-11H2,1-2H3,(H,25,28)(H,26,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by bromodomain alphascreen peptide displacement assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50180981
(CHEMBL3818026)Show SMILES Cc1noc(C)c1-c1cc(NC(=O)CCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H27N3O5/c1-16-24(17(2)33-28-16)19-13-20(25(31)18-9-5-3-6-10-18)15-21(14-19)26-22(29)11-7-4-8-12-23(30)27-32/h3,5-6,9-10,13-15,32H,4,7-8,11-12H2,1-2H3,(H,26,29)(H,27,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by bromodomain alphascreen peptide displacement assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50180983
(CHEMBL3819533)Show SMILES Cc1noc(C)c1-c1cc(OCCCCCCC(=O)NO)cc(c1)C(O)c1ccccc1 Show InChI InChI=1S/C25H30N2O5/c1-17-24(18(2)32-27-17)20-14-21(25(29)19-10-6-5-7-11-19)16-22(15-20)31-13-9-4-3-8-12-23(28)26-30/h5-7,10-11,14-16,25,29-30H,3-4,8-9,12-13H2,1-2H3,(H,26,28) | 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 | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using of Fluor-de-Lys substrate incubated for 10 mins by fluorimetric assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50181046
(CHEMBL3819616)Show SMILES Cc1noc(C)c1-c1cc(OCCCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H28N2O5/c1-17-24(18(2)32-27-17)20-14-21(25(29)19-10-6-5-7-11-19)16-22(15-20)31-13-9-4-3-8-12-23(28)26-30/h5-7,10-11,14-16,30H,3-4,8-9,12-13H2,1-2H3,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by bromodomain alphascreen peptide displacement assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50181047
(CHEMBL3818939)Show SMILES Cc1noc(C)c1-c1cc(OCCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O5/c1-16-23(17(2)31-26-16)19-13-20(24(28)18-9-5-3-6-10-18)15-21(14-19)30-12-8-4-7-11-22(27)25-29/h3,5-6,9-10,13-15,29H,4,7-8,11-12H2,1-2H3,(H,25,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by bromodomain alphascreen peptide displacement assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50181046
(CHEMBL3819616)Show SMILES Cc1noc(C)c1-c1cc(OCCCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H28N2O5/c1-17-24(18(2)32-27-17)20-14-21(25(29)19-10-6-5-7-11-19)16-22(15-20)31-13-9-4-3-8-12-23(28)26-30/h5-7,10-11,14-16,30H,3-4,8-9,12-13H2,1-2H3,(H,26,28) | 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 | 1.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using of Fluor-de-Lys substrate incubated for 10 mins by fluorimetric assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50181047
(CHEMBL3818939)Show SMILES Cc1noc(C)c1-c1cc(OCCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O5/c1-16-23(17(2)31-26-16)19-13-20(24(28)18-9-5-3-6-10-18)15-21(14-19)30-12-8-4-7-11-22(27)25-29/h3,5-6,9-10,13-15,29H,4,7-8,11-12H2,1-2H3,(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 | 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using of Fluor-de-Lys substrate incubated for 10 mins by fluorimetric assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50181048
(CHEMBL3818389)Show SMILES Cc1noc(C)c1-c1cc(OCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C23H24N2O5/c1-15-22(16(2)30-25-15)18-12-19(23(27)17-8-4-3-5-9-17)14-20(13-18)29-11-7-6-10-21(26)24-28/h3-5,8-9,12-14,28H,6-7,10-11H2,1-2H3,(H,24,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by bromodomain alphascreen peptide displacement assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50181036
(CHEMBL3819621)Show SMILES Cc1noc(C)c1-c1cc(OCCCCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H30N2O5/c1-18-25(19(2)33-28-18)21-15-22(26(30)20-11-7-6-8-12-20)17-23(16-21)32-14-10-5-3-4-9-13-24(29)27-31/h6-8,11-12,15-17,31H,3-5,9-10,13-14H2,1-2H3,(H,27,29) | 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 | 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using of Fluor-de-Lys substrate incubated for 10 mins by fluorimetric assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50181036
(CHEMBL3819621)Show SMILES Cc1noc(C)c1-c1cc(OCCCCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H30N2O5/c1-18-25(19(2)33-28-18)21-15-22(26(30)20-11-7-6-8-12-20)17-23(16-21)32-14-10-5-3-4-9-13-24(29)27-31/h6-8,11-12,15-17,31H,3-5,9-10,13-14H2,1-2H3,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by bromodomain alphascreen peptide displacement assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50180979
(CHEMBL3818246)Show InChI InChI=1S/C18H23N3O4/c1-12-18(13(2)25-21-12)14-7-6-8-15(11-14)19-16(22)9-4-3-5-10-17(23)20-24/h6-8,11,24H,3-5,9-10H2,1-2H3,(H,19,22)(H,20,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4 expressed in Escherichia coli BL21(DE3)-R3-pRARE2 by bromodomain alphascreen peptide displacement assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50181048
(CHEMBL3818389)Show SMILES Cc1noc(C)c1-c1cc(OCCCCC(=O)NO)cc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C23H24N2O5/c1-15-22(16(2)30-25-15)18-12-19(23(27)17-8-4-3-5-9-17)14-20(13-18)29-11-7-6-10-21(26)24-28/h3-5,8-9,12-14,28H,6-7,10-11H2,1-2H3,(H,24,26) | 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 | 5.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) using of Fluor-de-Lys substrate incubated for 10 mins by fluorimetric assay |
Bioorg Med Chem Lett 26: 2931-2935 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.034
BindingDB Entry DOI: 10.7270/Q2MW2K2V |
More data for this
Ligand-Target Pair | |
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