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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATP-sensitive inward rectifier potassium channel 1' and Ligand = 'BDBM196040'   
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))
BDBM196040
PNG
(US9206199, 145)
Show SMILES O=C(Cc1cnc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
Show InChI InChI=1S/C23H24N8O4/c32-21(7-15-9-24-23(25-10-15)31-14-26-27-28-31)30-5-4-29-12-20(35-13-18(29)11-30)17-1-2-19-16(8-17)3-6-34-22(19)33/h1-2,8-10,14,18,20H,3-7,11-13H2/t18-,20-/m0/s1
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PC cid
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US Patent
n/an/a 240n/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
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM196040
PNG
(US9206199, 145)
Show SMILES O=C(Cc1cnc(nc1)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
Show InChI InChI=1S/C23H24N8O4/c32-21(7-15-9-24-23(25-10-15)31-14-26-27-28-31)30-5-4-29-12-20(35-13-18(29)11-30)17-1-2-19-16(8-17)3-6-34-22(19)33/h1-2,8-10,14,18,20H,3-7,11-13H2/t18-,20-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells after 6 mins at -70 mV holding potential by electrophysiology method


Bioorg Med Chem Lett 26: 5695-5702 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.064
BindingDB Entry DOI: 10.7270/Q2F191PS
More data for this
Ligand-Target Pair