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SMILES: COc1cc(ccc1C#N)[C@H]1CN2CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)C[C@@H]2CO1

InChI Key: InChIKey=FTTHKPWKYYBOKS-HFRGRHLUSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 312595   
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))		BDBM312595
PNG
(US9604998, Example 1)
Show SMILES COc1cc(ccc1C#N)[C@H]1CN2CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)C[C@@H]2CO1 |r|
Show InChI InChI=1S/C26H29N3O5/c1-16-20(5-6-21-22(16)15-34-26(21)31)23(30)12-28-7-8-29-13-25(33-14-19(29)11-28)17-3-4-18(10-27)24(9-17)32-2/h3-6,9,19,23,25,30H,7-8,11-15H2,1-2H3/t19-,23+,25-/m1/s1
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PC cid
PC sid
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US Patent
n/an/a 110n/an/an/an/an/an/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 US9604998 (2017)


BindingDB Entry DOI: 10.7270/Q2XW4MWK
More data for this
Ligand-Target Pair