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PubChem AID 435017

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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)
BDBM73215
PNG
(7,13-bis(4-nitrobenzyl)-1,4,10-trioxa-7,13-diazacy...)
Show SMILES [O-][N+](=O)c1ccc(CN2CCOCCOCCN(Cc3ccc(cc3)[N+]([O-])=O)CCOCC2)cc1
Show InChI InChI=1S/C24H32N4O7/c29-27(30)23-5-1-21(2-6-23)19-25-9-13-33-14-10-26(12-16-35-18-17-34-15-11-25)20-22-3-7-24(8-4-22)28(31)32/h1-8H,9-20H2
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 273n/an/an/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Jerod Denton Assay Provider Affiliation: Vanderbilt University Grant Title: High throughput discovery of novel modulators of ROMK K+ ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RX99J2
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM73214
PNG
(7-(2-methoxy-4-nitro-benzyl)-13-(2-methoxy-5-nitro...)
Show SMILES COc1ccc(cc1CN1CCOCCOCCN(Cc2ccc(cc2OC)[N+]([O-])=O)CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C26H36N4O9/c1-35-25-6-5-23(29(31)32)17-22(25)20-28-8-12-37-11-7-27(9-13-38-15-16-39-14-10-28)19-21-3-4-24(30(33)34)18-26(21)36-2/h3-6,17-18H,7-16,19-20H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Jerod Denton Assay Provider Affiliation: Vanderbilt University Grant Title: High throughput discovery of novel modulators of ROMK K+ ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RX99J2
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens)
BDBM73213
PNG
(6-nitro-2-[3-(6-nitro-1H-benzimidazol-2-yl)propyl]...)
Show SMILES [O-][N+](=O)c1ccc2nc(CCCc3nc4ccc(cc4[nH]3)[N+]([O-])=O)[nH]c2c1
Show InChI InChI=1S/C17H14N6O4/c24-22(25)10-4-6-12-14(8-10)20-16(18-12)2-1-3-17-19-13-7-5-11(23(26)27)9-15(13)21-17/h4-9H,1-3H2,(H,18,20)(H,19,21)
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n/an/a 6.53E+3n/an/an/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Jerod Denton Assay Provider Affiliation: Vanderbilt University Grant Title: High throughput discovery of novel modulators of ROMK K+ ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RX99J2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%