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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 = 'BDBM196018'   
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))
BDBM196018
PNG
(US9206199, 123)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cnc(cn1)-n1cnnn1 |r|
Show InChI InChI=1S/C23H24N8O4/c1-14-17(2-3-18-19(14)12-35-23(18)33)20-10-29-4-5-30(9-16(29)11-34-20)22(32)6-15-7-25-21(8-24-15)31-13-26-27-28-31/h2-3,7-8,13,16,20H,4-6,9-12H2,1H3/t16-,20+/m1/s1
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PC cid
PC sid
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US Patent
n/an/a 690n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9206199 (2015)


BindingDB Entry DOI: 10.7270/Q2VH5MND
More data for this
Ligand-Target Pair