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PubMed code 12270187

Compile data set for download or QSAR
Found 12 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-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50119269
PNG
(CHEMBL102025 | Cyclobutyl-(7-fluoro-1,1-dioxo-1,4-...)
Show SMILES Fc1ccc2N=C(NC3CCC3)NS(=O)(=O)c2c1 |t:5|
Show InChI InChI=1S/C11H12FN3O2S/c12-7-4-5-9-10(6-7)18(16,17)15-11(14-9)13-8-2-1-3-8/h4-6,8H,1-3H2,(H2,13,14,15)
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n/an/an/an/a 356n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Beta-cell KATP channel


Bioorg Med Chem Lett 12: 2977-80 (2002)


BindingDB Entry DOI: 10.7270/Q20V8C4M
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50119270
PNG
(CHEMBL319596 | Cyclobutyl-(1,1-dioxo-1,4-dihydro-1...)
Show SMILES O=S1(=O)NC(NC2CCC2)=Nc2ccccc12 |c:10|
Show InChI InChI=1S/C11H13N3O2S/c15-17(16)10-7-2-1-6-9(10)13-11(14-17)12-8-4-3-5-8/h1-2,6-8H,3-5H2,(H2,12,13,14)
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n/an/an/an/a 1.96E+3n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Beta-cell KATP channel


Bioorg Med Chem Lett 12: 2977-80 (2002)


BindingDB Entry DOI: 10.7270/Q20V8C4M
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50119273
PNG
(CHEMBL101736 | N*3*-Cyclobutyl-1,1-dioxo-1,4-dihyd...)
Show SMILES Nc1ccc2N=C(NC3CCC3)NS(=O)(=O)c2c1 |t:5|
Show InChI InChI=1S/C11H14N4O2S/c12-7-4-5-9-10(6-7)18(16,17)15-11(14-9)13-8-2-1-3-8/h4-6,8H,1-3,12H2,(H2,13,14,15)
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n/an/an/an/a 3.20E+4n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Negative log EC50 for Beta-cell KATP channel


Bioorg Med Chem Lett 12: 2977-80 (2002)


BindingDB Entry DOI: 10.7270/Q20V8C4M
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50119270
PNG
(CHEMBL319596 | Cyclobutyl-(1,1-dioxo-1,4-dihydro-1...)
Show SMILES O=S1(=O)NC(NC2CCC2)=Nc2ccccc12 |c:10|
Show InChI InChI=1S/C11H13N3O2S/c15-17(16)10-7-2-1-6-9(10)13-11(14-17)12-8-4-3-5-8/h1-2,6-8H,3-5H2,(H2,12,13,14)
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n/an/an/an/a 2.00E+3n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Negative log EC50 for Beta-cell KATP channel


Bioorg Med Chem Lett 12: 2977-80 (2002)


BindingDB Entry DOI: 10.7270/Q20V8C4M
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50119273
PNG
(CHEMBL101736 | N*3*-Cyclobutyl-1,1-dioxo-1,4-dihyd...)
Show SMILES Nc1ccc2N=C(NC3CCC3)NS(=O)(=O)c2c1 |t:5|
Show InChI InChI=1S/C11H14N4O2S/c12-7-4-5-9-10(6-7)18(16,17)15-11(14-9)13-8-2-1-3-8/h4-6,8H,1-3,12H2,(H2,13,14,15)
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n/an/an/an/a 3.10E+4n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Beta-cell KATP channel


Bioorg Med Chem Lett 12: 2977-80 (2002)


BindingDB Entry DOI: 10.7270/Q20V8C4M
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50119274
PNG
(CHEMBL100793 | Cyclobutyl-(7-nitro-1,1-dioxo-1,4-d...)
Show SMILES [O-][N+](=O)c1ccc2[N-]\C(NS(=O)(=O)c2c1)=[NH+]\C1CCC1
Show InChI InChI=1S/C11H11N4O4S/c16-15(17)8-4-5-9-10(6-8)20(18,19)14-11(13-9)12-7-2-1-3-7/h4-7H,1-3H2,(H-,12,13,14)/q-1/p+1
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n/an/an/an/a 530n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Beta-cell KATP channel


Bioorg Med Chem Lett 12: 2977-80 (2002)


BindingDB Entry DOI: 10.7270/Q20V8C4M
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50119271
PNG
(CHEMBL319521 | Cyclobutyl-(7-methoxy-1,1-dioxo-1,4...)
Show SMILES COc1ccc2N=C(NC3CCC3)NS(=O)(=O)c2c1 |t:6|
Show InChI InChI=1S/C12H15N3O3S/c1-18-9-5-6-10-11(7-9)19(16,17)15-12(14-10)13-8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,13,14,15)
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n/an/an/an/a 3.87E+3n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Beta-cell KATP channel


Bioorg Med Chem Lett 12: 2977-80 (2002)


BindingDB Entry DOI: 10.7270/Q20V8C4M
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM86248
PNG
(CAS_364-98-7 | NSC_3019 | diazoxide)
Show SMILES CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1 |t:1|
Show InChI InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
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n/an/an/an/a 8.80E+3n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Beta-cell KATP channel


Bioorg Med Chem Lett 12: 2977-80 (2002)


BindingDB Entry DOI: 10.7270/Q20V8C4M
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50119272
PNG
((7-Chloro-1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1...)
Show SMILES Clc1ccc2N=C(NC3CCC3)NS(=O)(=O)c2c1 |t:5|
Show InChI InChI=1S/C11H12ClN3O2S/c12-7-4-5-9-10(6-7)18(16,17)15-11(14-9)13-8-2-1-3-8/h4-6,8H,1-3H2,(H2,13,14,15)
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n/an/an/an/a 196n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Beta-cell KATP channel


Bioorg Med Chem Lett 12: 2977-80 (2002)


BindingDB Entry DOI: 10.7270/Q20V8C4M
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50119272
PNG
((7-Chloro-1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1...)
Show SMILES Clc1ccc2N=C(NC3CCC3)NS(=O)(=O)c2c1 |t:5|
Show InChI InChI=1S/C11H12ClN3O2S/c12-7-4-5-9-10(6-7)18(16,17)15-11(14-9)13-8-2-1-3-8/h4-6,8H,1-3H2,(H2,13,14,15)
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Negative log EC50 for Beta-cell KATP channel


Bioorg Med Chem Lett 12: 2977-80 (2002)


BindingDB Entry DOI: 10.7270/Q20V8C4M
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50119271
PNG
(CHEMBL319521 | Cyclobutyl-(7-methoxy-1,1-dioxo-1,4...)
Show SMILES COc1ccc2N=C(NC3CCC3)NS(=O)(=O)c2c1 |t:6|
Show InChI InChI=1S/C12H15N3O3S/c1-18-9-5-6-10-11(7-9)19(16,17)15-12(14-10)13-8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,13,14,15)
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n/an/an/an/a 4.00E+3n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Negative log EC50 for Beta-cell KATP channel


Bioorg Med Chem Lett 12: 2977-80 (2002)


BindingDB Entry DOI: 10.7270/Q20V8C4M
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50119269
PNG
(CHEMBL102025 | Cyclobutyl-(7-fluoro-1,1-dioxo-1,4-...)
Show SMILES Fc1ccc2N=C(NC3CCC3)NS(=O)(=O)c2c1 |t:5|
Show InChI InChI=1S/C11H12FN3O2S/c12-7-4-5-9-10(6-7)18(16,17)15-11(14-9)13-8-2-1-3-8/h4-6,8H,1-3H2,(H2,13,14,15)
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n/an/an/an/a 400n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Negative log EC50 for Beta-cell KATP channel


Bioorg Med Chem Lett 12: 2977-80 (2002)


BindingDB Entry DOI: 10.7270/Q20V8C4M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%