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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 = 'BDBM247042'   
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))
BDBM247042
PNG
(1R,3aR,6S, 7R,7aS)-7-((E)-2- (2'-cyano-[3,3...)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12)C(N)=O |r|
Show InChI InChI=1S/C24H22F2N4O3/c1-13-17(20-14(2)33-22(32)23(20,21(28)31)12-24(13,25)26)8-7-16-6-5-15(11-30-16)18-4-3-9-29-19(18)10-27/h3-9,11,13-14,17,20H,12H2,1-2H3,(H2,28,31)/b8-7+/t13-,14+,17-,20-,23+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 6.00E+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