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SMILES: COC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O

InChI Key: InChIKey=AURWVDPCSLFJBP-KZZSQCIBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 247054   
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 H member 2


(Homo sapiens (Human))		BDBM247054
PNG
(US9701669, 19)
Show SMILES COC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C27H27F2N3O4/c1-15-20(11-10-19-9-8-18(13-32-19)21-7-5-4-6-17(21)12-30)22-16(2)36-25(34)26(22,14-27(15,28)29)23(35-3)24(31)33/h4-11,13,15-16,20,22-23H,14H2,1-3H3,(H2,31,33)/b11-10+/t15-,16+,20-,22-,23?,26+/m0/s1
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PC cid
PC sid
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US Patent
n/an/a 4.77E+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