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BDBM50314630 (E)-N-Hydroxy-3-(4-{1-[2-(2-methyl-1H-indol-3-yl)ethyl]-pyrrolidin-2-yl}phenyl)acrylamide::CHEMBL1089700

SMILES: Cc1[nH]c2ccccc2c1CCN1CCCC1c1ccc(\C=C\C(=O)NO)cc1

InChI Key: InChIKey=VZPCYGNNHOMJRA-JLHYYAGUSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314630   
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))
BDBM50314630
PNG
((E)-N-Hydroxy-3-(4-{1-[2-(2-methyl-1H-indol-3-yl)e...)
Show SMILES Cc1[nH]c2ccccc2c1CCN1CCCC1c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C24H27N3O2/c1-17-20(21-5-2-3-6-22(21)25-17)14-16-27-15-4-7-23(27)19-11-8-18(9-12-19)10-13-24(28)26-29/h2-3,5-6,8-13,23,25,29H,4,7,14-16H2,1H3,(H,26,28)/b13-10+
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PC sid
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Similars

Article
PubMed
n/an/a 3n/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))
BDBM50314630
PNG
((E)-N-Hydroxy-3-(4-{1-[2-(2-methyl-1H-indol-3-yl)e...)
Show SMILES Cc1[nH]c2ccccc2c1CCN1CCCC1c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C24H27N3O2/c1-17-20(21-5-2-3-6-22(21)25-17)14-16-27-15-4-7-23(27)19-11-8-18(9-12-19)10-13-24(28)26-29/h2-3,5-6,8-13,23,25,29H,4,7,14-16H2,1H3,(H,26,28)/b13-10+
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 1.94E+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