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SMILES: C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1

InChI Key: InChIKey=XXHJEMFFGVIBHN-YBEMNCNDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 181762   
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))		BDBM181762
PNG
(US9139585, 38B)
Show SMILES C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Show InChI InChI=1S/C27H32N2O6/c1-16-11-19-12-18(3-4-21(19)27(33)35-16)24(30)13-28-7-9-29(10-8-28)14-25(31)20-5-6-22-23(17(20)2)15-34-26(22)32/h3-6,12,16,24-25,30-31H,7-11,13-15H2,1-2H3/t16-,24-,25+/m1/s1
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Similars
US Patent
n/an/a 29n/an/an/an/a7.437



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 US9139585 (2015)


BindingDB Entry DOI: 10.7270/Q29P30F8
More data for this
Ligand-Target Pair