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PubChem AID 435016

Compile data set for download or QSAR
Found 4 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
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)


BindingDB Entry DOI: 10.7270/Q2WQ028B
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)


BindingDB Entry DOI: 10.7270/Q2WQ028B
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)


BindingDB Entry DOI: 10.7270/Q2WQ028B
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)


BindingDB Entry DOI: 10.7270/Q2WQ028B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%