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

InChI Key: InChIKey=KHVLDRZIYXBOLZ-AWEZNQCLSA-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 = 50199062   
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))
BDBM50199062
PNG
(1-{[(2S)-2,3-dihydroxypropyl]amino}-6-methoxy-4-ph...)
Show SMILES COc1ccc2c(NC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H19N3O3/c1-26-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)23-20(16)22-11-14(25)12-24/h2-9,14,24-25H,11-12H2,1H3,(H,22,23)/t14-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 680n/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))
BDBM50199062
PNG
(1-{[(2S)-2,3-dihydroxypropyl]amino}-6-methoxy-4-ph...)
Show SMILES COc1ccc2c(NC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H19N3O3/c1-26-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)23-20(16)22-11-14(25)12-24/h2-9,14,24-25H,11-12H2,1H3,(H,22,23)/t14-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.50E+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