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BDBM363475 9-(2-(4-(1H-tetrazol-1- yl)phenyl)-2-hydroxyethyl)-4-(4- methyl-5-oxo-2,5-dihydrofuran- 3-yl)-1-oxa-4,9- diazaspiro[5.5]undecan-5-one (single enantiomer, absolute stereochemistry not established)::US9850245, Example 9A

SMILES: CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3ccc(cc3)-n3cnnn3)CC2)C1=O

InChI Key: InChIKey=KURKDEGYKLJJNZ-UHFFFAOYSA-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 = 363475   
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))
BDBM363475
PNG
(9-(2-(4-(1H-tetrazol-1- yl)phenyl)-2-hydroxyethyl)...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3ccc(cc3)-n3cnnn3)CC2)C1=O |t:1|
Show InChI InChI=1S/C22H26N6O5/c1-15-18(13-32-20(15)30)27-10-11-33-22(21(27)31)6-8-26(9-7-22)12-19(29)16-2-4-17(5-3-16)28-14-23-24-25-28/h2-5,14,19,29H,6-13H2,1H3
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/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