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BDBM50314633 CHEMBL1093362::N-hydroxy-3-(2-(2-(2-methyl-1H-indol-3-yl)ethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)acrylamide

SMILES: Cc1[nH]c2ccccc2c1CCN1CCc2ccc(\C=C\C(=O)NO)cc2C1

InChI Key: InChIKey=LZSBNYPDVQHPAO-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 = 50314633   
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))
BDBM50314633
PNG
(CHEMBL1093362 | N-hydroxy-3-(2-(2-(2-methyl-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1CCN1CCc2ccc(\C=C\C(=O)NO)cc2C1
Show InChI InChI=1S/C23H25N3O2/c1-16-20(21-4-2-3-5-22(21)24-16)11-13-26-12-10-18-8-6-17(14-19(18)15-26)7-9-23(27)25-28/h2-9,14,24,28H,10-13,15H2,1H3,(H,25,27)/b9-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/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))
BDBM50314633
PNG
(CHEMBL1093362 | N-hydroxy-3-(2-(2-(2-methyl-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1CCN1CCc2ccc(\C=C\C(=O)NO)cc2C1
Show InChI InChI=1S/C23H25N3O2/c1-16-20(21-4-2-3-5-22(21)24-16)11-13-26-12-10-18-8-6-17(14-19(18)15-26)7-9-23(27)25-28/h2-9,14,24,28H,10-13,15H2,1H3,(H,25,27)/b9-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.70E+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