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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50099261'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50099261
PNG
(6-Fluoro-3-(4-fluoro-piperidin-3-yl)-1H-indole-2-c...)
Show SMILES COC(=O)c1[nH]c2cc(F)ccc2c1C1CNCC[C@H]1F
Show InChI InChI=1S/C15H16F2N2O2/c1-21-15(20)14-13(10-7-18-5-4-11(10)17)9-3-2-8(16)6-12(9)19-14/h2-3,6,10-11,18-19H,4-5,7H2,1H3/t10?,11-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
8.20E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


J Med Chem 52: 4266-76 (2009)


Article DOI: 10.1021/jm900002x
BindingDB Entry DOI: 10.7270/Q2MK6DT2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50099261
PNG
(6-Fluoro-3-(4-fluoro-piperidin-3-yl)-1H-indole-2-c...)
Show SMILES COC(=O)c1[nH]c2cc(F)ccc2c1C1CNCC[C@H]1F
Show InChI InChI=1S/C15H16F2N2O2/c1-21-15(20)14-13(10-7-18-5-4-11(10)17)9-3-2-8(16)6-12(9)19-14/h2-3,6,10-11,18-19H,4-5,7H2,1H3/t10?,11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
8.20E+3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from HEK cells expressing hERG voltage dependent IKr potassium channel Kv11.1


J Med Chem 44: 1603-14 (2001)


BindingDB Entry DOI: 10.7270/Q27M076K
More data for this
Ligand-Target Pair