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BDBM50314634 CHEMBL1089301::N-hydroxy-3-(3-(2-(2-methyl-1H-indol-3-yl)ethyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)acrylamide

SMILES: Cc1[nH]c2ccccc2c1CCN1CCc2ccc(\C=C\C(=O)NO)cc2CC1

InChI Key: InChIKey=FHJQISPBEYPYDY-VQHVLOKHSA-N

Data: 2 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 2 hits for monomerid = 50314634   
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))
BDBM50314634
PNG
(CHEMBL1089301 | N-hydroxy-3-(3-(2-(2-methyl-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1CCN1CCc2ccc(\C=C\C(=O)NO)cc2CC1
Show InChI InChI=1S/C24H27N3O2/c1-17-21(22-4-2-3-5-23(22)25-17)12-15-27-13-10-19-8-6-18(7-9-24(28)26-29)16-20(19)11-14-27/h2-9,16,25,29H,10-15H2,1H3,(H,26,28)/b9-7+
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 76n/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))
BDBM50314634
PNG
(CHEMBL1089301 | N-hydroxy-3-(3-(2-(2-methyl-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1CCN1CCc2ccc(\C=C\C(=O)NO)cc2CC1
Show InChI InChI=1S/C24H27N3O2/c1-17-21(22-4-2-3-5-23(22)25-17)12-15-27-13-10-19-8-6-18(7-9-24(28)26-29)16-20(19)11-14-27/h2-9,16,25,29H,10-15H2,1H3,(H,26,28)/b9-7+
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 3.20E+3n/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