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BDBM50507255 CHEMBL4465218

SMILES: ONC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O

InChI Key: InChIKey=BZSGIZBNTRIRIE-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50507255   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50507255
PNG
(CHEMBL4465218)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C18H17N3O6/c22-15(19-25)7-2-1-3-10-20-17(23)12-6-4-5-11-14(21(26)27)9-8-13(16(11)12)18(20)24/h4-6,8-9,25H,1-3,7,10H2,(H,19,22)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human HDAC8 (1 to 377 residues) expressed in Baculovirus infected insect cells using RHK-K(Ac)-AMC as...


Eur J Med Chem 162: 321-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.020
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50507255
PNG
(CHEMBL4465218)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C18H17N3O6/c22-15(19-25)7-2-1-3-10-20-17(23)12-6-4-5-11-14(21(26)27)9-8-13(16(11)12)18(20)24/h4-6,8-9,25H,1-3,7,10H2,(H,19,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.62E+3n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...


Eur J Med Chem 162: 321-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.020
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50507255
PNG
(CHEMBL4465218)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C18H17N3O6/c22-15(19-25)7-2-1-3-10-20-17(23)12-6-4-5-11-14(21(26)27)9-8-13(16(11)12)18(20)24/h4-6,8-9,25H,1-3,7,10H2,(H,19,22)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using RHKK-Ac as subs...


Eur J Med Chem 162: 321-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.020
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50507255
PNG
(CHEMBL4465218)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C18H17N3O6/c22-15(19-25)7-2-1-3-10-20-17(23)12-6-4-5-11-14(21(26)27)9-8-13(16(11)12)18(20)24/h4-6,8-9,25H,1-3,7,10H2,(H,19,22)
NCI pathway
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UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human HDAC11 (1 to 347 residues) expressed in Baculovirus infected insect cells using RHKK-Ac as subs...


Eur J Med Chem 162: 321-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.020
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM50507255
PNG
(CHEMBL4465218)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C18H17N3O6/c22-15(19-25)7-2-1-3-10-20-17(23)12-6-4-5-11-14(21(26)27)9-8-13(16(11)12)18(20)24/h4-6,8-9,25H,1-3,7,10H2,(H,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Deakin University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal FLAG/His-tagged human HDAC1 (1 to 482 residues) expressed in sf21 cells using RHK-K(Ac)-AMC as subst...


Eur J Med Chem 162: 321-333 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.020
More data for this
Ligand-Target Pair