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BDBM363473 (S)-9-(2-(6-(1H-tetrazol-1- yl)pyridin-3-yl)-2-hydroxyethyl)- 4-(4-methyl-5-oxo-2,5- dihydrofuran-3-yl)-1-oxa-4,9- diazaspiro[5.5]undecan-5-one::US9850245, Example 6B

SMILES: CC1=C(COC1=O)N1CCOC2(CCN(C[C@@H](O)c3ccc(nc3)-n3cnnn3)CC2)C1=O

InChI Key: InChIKey=IILZZSPEHVYSAM-QGZVFWFLSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 363473   
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
ATP-regulated potassium channel ROM-K


(Homo sapiens (Human))
BDBM363473
PNG
((S)-9-(2-(6-(1H-tetrazol-1- yl)pyridin-3-yl)-2-hyd...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(C[C@@H](O)c3ccc(nc3)-n3cnnn3)CC2)C1=O |r,t:1|
Show InChI InChI=1S/C21H25N7O5/c1-14-16(12-32-19(14)30)27-8-9-33-21(20(27)31)4-6-26(7-5-21)11-17(29)15-2-3-18(22-10-15)28-13-23-24-25-28/h2-3,10,13,17,29H,4-9,11-12H2,1H3/t17-/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Blocking of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks...


US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair