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SMILES: COc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3cc(ccc23)-n2cnnn2)c(C)c1C#N

InChI Key: InChIKey=LEKMWYILZBKZLJ-RZFHSFIVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 290078   
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-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM290078
PNG
(US9573961, Example 63)
Show SMILES COc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3cc(ccc23)-n2cnnn2)c(C)c1C#N |r|
Show InChI InChI=1S/C27H29N7O3/c1-17-21(7-8-25(36-2)24(17)12-28)26-14-32-9-10-33(13-20(32)15-37-26)27(35)23-5-3-18-11-19(4-6-22(18)23)34-16-29-30-31-34/h4,6-8,11,16,20,23,26H,3,5,9-10,13-15H2,1-2H3/t20-,23?,26-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 180n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9573961 (2017)


BindingDB Entry DOI: 10.7270/Q241704N
More data for this
Ligand-Target Pair