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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 = 'BDBM194959'   
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))
BDBM194959
PNG
(US9206198, 13)
Show SMILES CO[C@@H](CN1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2C)CC1)c1ccc2C(=O)OCc2c1C |r,c:14|
Show InChI InChI=1S/C26H32N2O6/c1-15-18(5-6-19-20(15)14-33-24(19)30)21(32-4)13-27-10-7-26(8-11-27)9-12-28(25(26)31)22-16(2)23(29)34-17(22)3/h5-6,17,21H,7-14H2,1-4H3/t17?,21-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/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))
BDBM194959
PNG
(US9206198, 13)
Show SMILES CO[C@@H](CN1CCC2(CCN(C2=O)C2=C(C)C(=O)OC2C)CC1)c1ccc2C(=O)OCc2c1C |r,c:14|
Show InChI InChI=1S/C26H32N2O6/c1-15-18(5-6-19-20(15)14-33-24(19)30)21(32-4)13-27-10-7-26(8-11-27)9-12-28(25(26)31)22-16(2)23(29)34-17(22)3/h5-6,17,21H,7-14H2,1-4H3/t17?,21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 490n/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