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BDBM50507259 CHEMBL4461622

SMILES: ONC(=O)CCCCCN1C(=O)c2cccc3c(Nc4cccc(F)c4)ccc(C1=O)c23

InChI Key: InChIKey=BBHHBNFCYBGQHQ-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 = 50507259   
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 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50507259
PNG
(CHEMBL4461622)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(Nc4cccc(F)c4)ccc(C1=O)c23
Show InChI InChI=1S/C24H22FN3O4/c25-15-6-4-7-16(14-15)26-20-12-11-19-22-17(20)8-5-9-18(22)23(30)28(24(19)31)13-3-1-2-10-21(29)27-32/h4-9,11-12,14,26,32H,1-3,10,13H2,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 550n/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 1


(Homo sapiens (Human))
BDBM50507259
PNG
(CHEMBL4461622)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(Nc4cccc(F)c4)ccc(C1=O)c23
Show InChI InChI=1S/C24H22FN3O4/c25-15-6-4-7-16(14-15)26-20-12-11-19-22-17(20)8-5-9-18(22)23(30)28(24(19)31)13-3-1-2-10-21(29)27-32/h4-9,11-12,14,26,32H,1-3,10,13H2,(H,27,29)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.06E+3n/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
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50507259
PNG
(CHEMBL4461622)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(Nc4cccc(F)c4)ccc(C1=O)c23
Show InChI InChI=1S/C24H22FN3O4/c25-15-6-4-7-16(14-15)26-20-12-11-19-22-17(20)8-5-9-18(22)23(30)28(24(19)31)13-3-1-2-10-21(29)27-32/h4-9,11-12,14,26,32H,1-3,10,13H2,(H,27,29)
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.07E+3n/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
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50507259
PNG
(CHEMBL4461622)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(Nc4cccc(F)c4)ccc(C1=O)c23
Show InChI InChI=1S/C24H22FN3O4/c25-15-6-4-7-16(14-15)26-20-12-11-19-22-17(20)8-5-9-18(22)23(30)28(24(19)31)13-3-1-2-10-21(29)27-32/h4-9,11-12,14,26,32H,1-3,10,13H2,(H,27,29)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/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))
BDBM50507259
PNG
(CHEMBL4461622)
Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(Nc4cccc(F)c4)ccc(C1=O)c23
Show InChI InChI=1S/C24H22FN3O4/c25-15-6-4-7-16(14-15)26-20-12-11-19-22-17(20)8-5-9-18(22)23(30)28(24(19)31)13-3-1-2-10-21(29)27-32/h4-9,11-12,14,26,32H,1-3,10,13H2,(H,27,29)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/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