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BDBM50248376 3-(1-ethyl-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N-hydroxyacrylamide::CHEMBL490721::US10201527, Compound 38::US10736881, Compound 38

SMILES: CCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12

InChI Key: InChIKey=KLSHPXPMJUGIDY-JLHYYAGUSA-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 = 50248376   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248376
PNG
(3-(1-ethyl-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N...)
Show SMILES CCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C20H21N3O2/c1-2-23-18-11-8-16(10-13-20(24)22-25)14-17(18)21-19(23)12-9-15-6-4-3-5-7-15/h3-8,10-11,13-14,25H,2,9,12H2,1H3,(H,22,24)/b13-10+
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Article
PubMed
n/an/a 220n/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))
BDBM50248376
PNG
(3-(1-ethyl-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N...)
Show SMILES CCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C20H21N3O2/c1-2-23-18-11-8-16(10-13-20(24)22-25)14-17(18)21-19(23)12-9-15-6-4-3-5-7-15/h3-8,10-11,13-14,25H,2,9,12H2,1H3,(H,22,24)/b13-10+
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US Patent
n/an/a 218n/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))
BDBM50248376
PNG
(3-(1-ethyl-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N...)
Show SMILES CCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C20H21N3O2/c1-2-23-18-11-8-16(10-13-20(24)22-25)14-17(18)21-19(23)12-9-15-6-4-3-5-7-15/h3-8,10-11,13-14,25H,2,9,12H2,1H3,(H,22,24)/b13-10+
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US Patent
n/an/a 148n/an/an/an/an/an/a



MEI Pharma, Inc.

US Patent




US Patent US10736881 (2020)

More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248376
PNG
(3-(1-ethyl-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N...)
Show SMILES CCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C20H21N3O2/c1-2-23-18-11-8-16(10-13-20(24)22-25)14-17(18)21-19(23)12-9-15-6-4-3-5-7-15/h3-8,10-11,13-14,25H,2,9,12H2,1H3,(H,22,24)/b13-10+
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US Patent
n/an/a 218n/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))
BDBM50248376
PNG
(3-(1-ethyl-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N...)
Show SMILES CCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C20H21N3O2/c1-2-23-18-11-8-16(10-13-20(24)22-25)14-17(18)21-19(23)12-9-15-6-4-3-5-7-15/h3-8,10-11,13-14,25H,2,9,12H2,1H3,(H,22,24)/b13-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 148n/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 1.5105 cells/well for 24 h. Colo20...


US Patent US10201527 (2019)


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