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BDBM50314635 (E)-N-Hydroxy-3-{4-[3-(1H-indol-3-yl)piperidin-1-ylmethyl]-phenyl}acrylamide::CHEMBL1094040

SMILES: ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c[nH]c3ccccc23)cc1

InChI Key: InChIKey=ULWWEFQRNUGZPN-VAWYXSNFSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314635   
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))
BDBM50314635
PNG
((E)-N-Hydroxy-3-{4-[3-(1H-indol-3-yl)piperidin-1-y...)
Show SMILES ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C23H25N3O2/c27-23(25-28)12-11-17-7-9-18(10-8-17)15-26-13-3-4-19(16-26)21-14-24-22-6-2-1-5-20(21)22/h1-2,5-12,14,19,24,28H,3-4,13,15-16H2,(H,25,27)/b12-11+
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in HEK293 cells by fluorescent assay


J Med Chem 53: 2952-63 (2010)


Article DOI: 10.1021/jm100007m
BindingDB Entry DOI: 10.7270/Q20V8CZC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50314635
PNG
((E)-N-Hydroxy-3-{4-[3-(1H-indol-3-yl)piperidin-1-y...)
Show SMILES ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C23H25N3O2/c27-23(25-28)12-11-17-7-9-18(10-8-17)15-26-13-3-4-19(16-26)21-14-24-22-6-2-1-5-20(21)22/h1-2,5-12,14,19,24,28H,3-4,13,15-16H2,(H,25,27)/b12-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.93E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by automated patch clamp electrophisiology assay


J Med Chem 53: 2952-63 (2010)


Article DOI: 10.1021/jm100007m
BindingDB Entry DOI: 10.7270/Q20V8CZC
More data for this
Ligand-Target Pair