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BDBM50248429 CHEMBL489709::N-hydroxy-3-(1-(2-morpholinoethyl)-2-phenethyl-1H-benzo[d]imidazol-5-yl)acrylamide::US10201527, Compound 44::US10736881, Compound 44

SMILES: ONC(=O)\C=C\c1ccc2n(CCN3CCOCC3)c(CCc3ccccc3)nc2c1

InChI Key: InChIKey=JMWCDNZQKRQNGS-DHZHZOJOSA-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 = 50248429   
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 1


(Homo sapiens (Human))
BDBM50248429
PNG
(CHEMBL489709 | N-hydroxy-3-(1-(2-morpholinoethyl)-...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O3/c29-24(26-30)11-8-20-6-9-22-21(18-20)25-23(10-7-19-4-2-1-3-5-19)28(22)13-12-27-14-16-31-17-15-27/h1-6,8-9,11,18,30H,7,10,12-17H2,(H,26,29)/b11-8+
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Article
PubMed
n/an/a 270n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248429
PNG
(CHEMBL489709 | N-hydroxy-3-(1-(2-morpholinoethyl)-...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O3/c29-24(26-30)11-8-20-6-9-22-21(18-20)25-23(10-7-19-4-2-1-3-5-19)28(22)13-12-27-14-16-31-17-15-27/h1-6,8-9,11,18,30H,7,10,12-17H2,(H,26,29)/b11-8+
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US Patent
n/an/a 268n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)


BindingDB Entry DOI: 10.7270/Q2PK0J7F
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50248429
PNG
(CHEMBL489709 | N-hydroxy-3-(1-(2-morpholinoethyl)-...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O3/c29-24(26-30)11-8-20-6-9-22-21(18-20)25-23(10-7-19-4-2-1-3-5-19)28(22)13-12-27-14-16-31-17-15-27/h1-6,8-9,11,18,30H,7,10,12-17H2,(H,26,29)/b11-8+
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US Patent
n/an/a 345n/an/an/an/an/an/a



MEI Pharma, Inc.

US Patent




US Patent US10736881 (2020)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248429
PNG
(CHEMBL489709 | N-hydroxy-3-(1-(2-morpholinoethyl)-...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O3/c29-24(26-30)11-8-20-6-9-22-21(18-20)25-23(10-7-19-4-2-1-3-5-19)28(22)13-12-27-14-16-31-17-15-27/h1-6,8-9,11,18,30H,7,10,12-17H2,(H,26,29)/b11-8+
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US Patent
n/an/a 268n/an/an/an/an/an/a



MEI Pharma, Inc.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10736881 (2020)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50248429
PNG
(CHEMBL489709 | N-hydroxy-3-(1-(2-morpholinoethyl)-...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O3/c29-24(26-30)11-8-20-6-9-22-21(18-20)25-23(10-7-19-4-2-1-3-5-19)28(22)13-12-27-14-16-31-17-15-27/h1-6,8-9,11,18,30H,7,10,12-17H2,(H,26,29)/b11-8+
PDB
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NCI pathway
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KEGG

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PC sid
UniChem

Patents


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US Patent
n/an/a 345n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
To determine EC50 where acetylated histone 3 was induced by 50%, Colo205 cells was cultivated in 96 well plate at 1.5×105 cells/well for 24 h. Colo20...


US Patent US10201527 (2019)


BindingDB Entry DOI: 10.7270/Q2PK0J7F
More data for this
Ligand-Target Pair