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SMILES: COc1ccc2c(OC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1

InChI Key: InChIKey=LPNVADCXMPWFQC-CQSZACIVSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50199066   
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
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50199066
PNG
(1-{[(2R)-2,3-dihydroxypropyl]oxy}-6-methoxy-4-phen...)
Show SMILES COc1ccc2c(OC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H18N2O4/c1-25-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)22-20(16)26-12-14(24)11-23/h2-9,14,23-24H,11-12H2,1H3/t14-/m1/s1
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay


J Med Chem 49: 6954-7 (2006)


Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50199066
PNG
(1-{[(2R)-2,3-dihydroxypropyl]oxy}-6-methoxy-4-phen...)
Show SMILES COc1ccc2c(OC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H18N2O4/c1-25-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)22-20(16)26-12-14(24)11-23/h2-9,14,23-24H,11-12H2,1H3/t14-/m1/s1
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.05E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to hERG potassium channel


J Med Chem 49: 6954-7 (2006)


Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7
More data for this
Ligand-Target Pair