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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'ATP-sensitive inward rectifier potassium channel 1' and Ligand = 'BDBM50391770'   
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))
BDBM50391770
PNG
(CHEMBL2146755 | US9073882, 1)
Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
Show InChI InChI=1S/C20H24N4O4/c25-23(26)19-5-1-17(2-6-19)9-11-21-13-15-22(16-14-21)12-10-18-3-7-20(8-4-18)24(27)28/h1-8H,9-16H2
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ROMK by electrophysiology assay


ACS Med Chem Lett 3: 367-372 (2012)


Article DOI: 10.1021/ml3000066
BindingDB Entry DOI: 10.7270/Q2MK6DZV
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50391770
PNG
(CHEMBL2146755 | US9073882, 1)
Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
Show InChI InChI=1S/C20H24N4O4/c25-23(26)19-5-1-17(2-6-19)9-11-21-13-15-22(16-14-21)12-10-18-3-7-20(8-4-18)24(27)28/h1-8H,9-16H2
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n/an/a 52n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ROMK1 channel expressed in CHO cells coexpressing DHFR assessed as inhibition of 86Rb+ efflux after 35 mins by TopCount method


ACS Med Chem Lett 3: 367-372 (2012)


Article DOI: 10.1021/ml3000066
BindingDB Entry DOI: 10.7270/Q2MK6DZV
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50391770
PNG
(CHEMBL2146755 | US9073882, 1)
Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
Show InChI InChI=1S/C20H24N4O4/c25-23(26)19-5-1-17(2-6-19)9-11-21-13-15-22(16-14-21)12-10-18-3-7-20(8-4-18)24(27)28/h1-8H,9-16H2
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) after 30 mins by 86Rb+ efflux assay


ACS Med Chem Lett 7: 697-701 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50391770
PNG
(CHEMBL2146755 | US9073882, 1)
Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
Show InChI InChI=1S/C20H24N4O4/c25-23(26)19-5-1-17(2-6-19)9-11-21-13-15-22(16-14-21)12-10-18-3-7-20(8-4-18)24(27)28/h1-8H,9-16H2
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROMK (unknown origin) after 30 mins by 86Rb+ efflux assay


ACS Med Chem Lett 7: 697-701 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00122
BindingDB Entry DOI: 10.7270/Q25X2DF1
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50391770
PNG
(CHEMBL2146755 | US9073882, 1)
Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
Show InChI InChI=1S/C20H24N4O4/c25-23(26)19-5-1-17(2-6-19)9-11-21-13-15-22(16-14-21)12-10-18-3-7-20(8-4-18)24(27)28/h1-8H,9-16H2
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US Patent
n/an/a 66n/an/an/an/an/a4



Merck Sharp & Dohme Corp.

US Patent


Assay Description
FluxOR Kit Components (Invitrogen F10017) FluxOR Reagent (Component A) FluxOR Assay Buffer (Component B)-10x Concentrate PowerLo...


US Patent US9073882 (2015)


BindingDB Entry DOI: 10.7270/Q21C1VMH
More data for this
Ligand-Target Pair