BindingDB logo
myBDB logout

BDBM247050 US9701669, 10

SMILES: C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc4OC(F)(F)Oc34)[C@H]12)C(N)=O

InChI Key: InChIKey=RNCJCFSBCWLWAT-QNGRFZOLSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 247050   
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))
BDBM247050
PNG
(US9701669, 10)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc4OC(F)(F)Oc34)[C@H]12)C(N)=O |r|
Show InChI InChI=1S/C25H22F4N2O5/c1-12-16(19-13(2)34-22(33)23(19,21(30)32)11-24(12,26)27)9-8-15-7-6-14(10-31-15)17-4-3-5-18-20(17)36-25(28,29)35-18/h3-10,12-13,16,19H,11H2,1-2H3,(H2,30,32)/b9-8+/t12-,13+,16-,19-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.54E+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