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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 = 'BDBM194949'   
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))
BDBM194949
PNG
(US9206198, 3)
Show SMILES O=C1OCC(=C1)N1CCC2(CCN(CCc3ccc4C(=O)OCc4c3)CC2)C1=O |c:4|
Show InChI InChI=1S/C22H24N2O5/c25-19-12-17(14-28-19)24-10-6-22(21(24)27)4-8-23(9-5-22)7-3-15-1-2-18-16(11-15)13-29-20(18)26/h1-2,11-12H,3-10,13-14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/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 ...


US Patent US9206198 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86FH
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM194949
PNG
(US9206198, 3)
Show SMILES O=C1OCC(=C1)N1CCC2(CCN(CCc3ccc4C(=O)OCc4c3)CC2)C1=O |c:4|
Show InChI InChI=1S/C22H24N2O5/c25-19-12-17(14-28-19)24-10-6-22(21(24)27)4-8-23(9-5-22)7-3-15-1-2-18-16(11-15)13-29-20(18)26/h1-2,11-12H,3-10,13-14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 290n/an/an/an/an/a37



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...


US Patent US9206198 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86FH
More data for this
Ligand-Target Pair