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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM247038'   
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))
BDBM247038
PNG
(2-((1R,3aR, 6S,7R,7aS)-5,5- difluoro-7- ((E)-2-(5-...)
Show SMILES C[C@H]1OC(=O)[C@]2(CC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r|
Show InChI InChI=1S/C25H25F3N2O3/c1-14-20(9-8-19-7-6-17(12-30-19)16-4-3-5-18(26)10-16)22-15(2)33-23(32)24(22,11-21(29)31)13-25(14,27)28/h3-10,12,14-15,20,22H,11,13H2,1-2H3,(H2,29,31)/b9-8+/t14-,15+,20-,22-,24+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.04E+4n/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Drug cardiac arrhythmia is an important safety concern for pharmaceutical development and health regulatory authorities. Blockade of heterologously-e...


US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair