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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-sensitive inward rectifier potassium channel 1' and Ligand = 'BDBM363487'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM363487
PNG
((1R,2'R,5S)-8-((R)-2-hydroxy-2- (4-methyl-1-oxo-1,...)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1C2CCC1CC1(C2)OCCN(C2=CC(=O)OC2)C1=O |r,t:30,TLB:32:20:14:16.17,13:14:19.20.21:16.17,THB:22:20:14:16.17|
Show InChI InChI=1S/C25H28N2O7/c1-14-18(4-5-19-20(14)13-33-23(19)30)21(28)11-27-15-2-3-16(27)10-25(9-15)24(31)26(6-7-34-25)17-8-22(29)32-12-17/h4-5,8,15-16,21,28H,2-3,6-7,9-13H2,1H3/t15?,16?,21-,25?/m0/s1
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PC cid
PC sid
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US Patent
n/an/a 13.4n/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