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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'G protein-activated inward rectifier potassium channel 1' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
G protein-activated inward rectifier potassium channel 1


(Rattus norvegicus)
BDBM36882
PNG
(3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-bis(oxida...)
Show SMILES Oc1cc(O)c2c(c1)oc(c(-c1ccc3OCCOc3c1)c2=O)C(F)(F)F
Show InChI InChI=1S/C18H11F3O6/c19-18(20,21)17-14(8-1-2-11-12(5-8)26-4-3-25-11)16(24)15-10(23)6-9(22)7-13(15)27-17/h1-2,5-7,22-23H,3-4H2
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n/an/an/an/a 1.26E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GI...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Rattus norvegicus)
BDBM42613
PNG
(3-allyl-2-thioxo-1H-quinazolin-4-one | 3-prop-2-en...)
Show SMILES C=CCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C11H10N2OS/c1-2-7-13-10(14)8-5-3-4-6-9(8)12-11(13)15/h2-6H,1,7H2,(H,12,15)
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n/an/an/an/a 3.15E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GI...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Rattus norvegicus)
BDBM73211
PNG
(1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[1,1,1...)
Show SMILES CCSc1nnc(NC(=O)NC(CC)(C(F)(F)F)C(F)(F)F)s1
Show InChI InChI=1S/C10H12F6N4OS2/c1-3-8(9(11,12)13,10(14,15)16)18-5(21)17-6-19-20-7(23-6)22-4-2/h3-4H2,1-2H3,(H2,17,18,19,21)
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n/an/an/an/a 2.29E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GI...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Rattus norvegicus)
BDBM73212
PNG
(4-[1-(tetrahydrofuryl)ethylcarbamoylamino]benzoic ...)
Show SMILES CCOC(=O)c1ccc(NC(=O)NC(C)C2CCCO2)cc1
Show InChI InChI=1S/C16H22N2O4/c1-3-21-15(19)12-6-8-13(9-7-12)18-16(20)17-11(2)14-5-4-10-22-14/h6-9,11,14H,3-5,10H2,1-2H3,(H2,17,18,20)
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n/an/an/an/a 4.14E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GI...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Rattus norvegicus)
BDBM73210
PNG
((5Z)-5-{(2E)-3-[4-(dimethylamino)phenyl]-1-hydroxy...)
Show SMILES CN(C)c1ccc(\C=C\C(=O)C2=C(O)N(C)C3(C)CC2c2ccccc2O3)cc1
Show InChI InChI=1S/C24H26N2O3/c1-24-15-19(18-7-5-6-8-21(18)29-24)22(23(28)26(24)4)20(27)14-11-16-9-12-17(13-10-16)25(2)3/h5-14,19,28H,15H2,1-4H3/b14-11+
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n/an/an/an/a 0.856n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GI...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Rattus norvegicus)
BDBM50004233
PNG
(5,11-dimethyl-2H-pyrido[4,3-b]carbazole | CHEMBL12...)
Show SMILES Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12
Show InChI InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
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n/an/an/an/a 1.49n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GI...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Rattus norvegicus)
BDBM73209
PNG
((+)-CIS-DIOXOLANE | CD | CHEMBL105457 | MLS0000693...)
Show SMILES C[C@H]1OC[C@@H](C[N+](C)(C)C)O1
Show InChI InChI=1S/C8H18NO2/c1-7-10-6-8(11-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m0/s1
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n/an/an/an/a 0.280n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GI...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Rattus norvegicus)
BDBM34572
PNG
(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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n/an/an/an/a 0.0372n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GI...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Rattus norvegicus)
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 0.0614n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affliation: Vanderbilt University Grant Title: Measurement of GPCR-mediated thallium flux through GI...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair