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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 273.7
BDBM50130735
Wt: 289.7
BDBM50362989
Wt: 273.2
BDBM50362990
Wt: 289.7
BDBM50362991
Wt: 285.3
BDBM50362993
Wt: 289.7
BDBM50362995
Wt: 289.7
BDBM50362998
Wt: 289.7
BDBM50362999
Wt: 287.3
BDBM50363000
Wt: 273.2
BDBM50363001
Wt: 257.2
BDBM50363002
Wt: 289.7
BDBM50363007
Wt: 285.3
BDBM50363010
Wt: 269.3
BDBM50363011
Wt: 303.7
BDBM50363013
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 19 hits in this display   
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


(Rattus norvegicus)
BDBM50363013
PNG
(CHEMBL191539)
Show SMILES COc1cc2c(cc1Cl)N=C(NC(C)C)NS2(=O)=O
Show InChI InChI=1S/C11H14ClN3O3S/c1-6(2)13-11-14-8-4-7(12)9(18-3)5-10(8)19(16,17)15-11/h4-6H,1-3H3,(H2,13,14,15)
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n/an/a 240n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50130735
PNG
((7-Chloro-1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1...)
Show SMILES CC(C)NC1=Nc2ccc(Cl)cc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12ClN3O2S/c1-6(2)12-10-13-8-4-3-7(11)5-9(8)17(15,16)14-10/h3-6H,1-2H3,(H2,12,13,14)
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n/an/a 480n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50363007
PNG
(CHEMBL1946272)
Show SMILES C[C@H](CO)NC1=Nc2cc(Cl)ccc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12ClN3O3S/c1-6(5-15)12-10-13-8-4-7(11)2-3-9(8)18(16,17)14-10/h2-4,6,15H,5H2,1H3,(H2,12,13,14)/t6-/m1/s1
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n/an/a 520n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50362998
PNG
(CHEMBL1945810)
Show SMILES C[C@H](CO)NC1=Nc2ccc(Cl)cc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12ClN3O3S/c1-6(5-15)12-10-13-8-3-2-7(11)4-9(8)18(16,17)14-10/h2-4,6,15H,5H2,1H3,(H2,12,13,14)/t6-/m1/s1
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n/an/a 620n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50363002
PNG
(CHEMBL115565)
Show SMILES CC(C)NC1=Nc2ccc(F)cc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12FN3O2S/c1-6(2)12-10-13-8-4-3-7(11)5-9(8)17(15,16)14-10/h3-6H,1-2H3,(H2,12,13,14)
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n/an/a 760n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50363011
PNG
(CHEMBL189093)
Show SMILES COc1ccc2N=C(NC(C)C)NS(=O)(=O)c2c1
Show InChI InChI=1S/C11H15N3O3S/c1-7(2)12-11-13-9-5-4-8(17-3)6-10(9)18(15,16)14-11/h4-7H,1-3H3,(H2,12,13,14)
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n/an/a 1.75E+3n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50362991
PNG
(CHEMBL1946273)
Show SMILES C[C@@H](CO)NC1=Nc2cc(Cl)ccc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12ClN3O3S/c1-6(5-15)12-10-13-8-4-7(11)2-3-9(8)18(16,17)14-10/h2-4,6,15H,5H2,1H3,(H2,12,13,14)/t6-/m0/s1
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n/an/a 1.81E+3n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50363001
PNG
(CHEMBL1946137)
Show SMILES C[C@H](CO)NC1=Nc2ccc(F)cc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12FN3O3S/c1-6(5-15)12-10-13-8-3-2-7(11)4-9(8)18(16,17)14-10/h2-4,6,15H,5H2,1H3,(H2,12,13,14)/t6-/m1/s1
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n/an/a 2.05E+3n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50362995
PNG
(CHEMBL1945807)
Show SMILES CC(CO)NC1=Nc2ccc(Cl)cc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12ClN3O3S/c1-6(5-15)12-10-13-8-3-2-7(11)4-9(8)18(16,17)14-10/h2-4,6,15H,5H2,1H3,(H2,12,13,14)
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n/an/a 3.03E+3n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50362990
PNG
(CHEMBL1946138)
Show SMILES C[C@@H](CO)NC1=Nc2ccc(F)cc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12FN3O3S/c1-6(5-15)12-10-13-8-3-2-7(11)4-9(8)18(16,17)14-10/h2-4,6,15H,5H2,1H3,(H2,12,13,14)/t6-/m0/s1
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n/an/a 3.78E+3n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50363010
PNG
(CHEMBL1946414)
Show SMILES COc1ccc2N=C(N[C@H](C)CO)NS(=O)(=O)c2c1
Show InChI InChI=1S/C11H15N3O4S/c1-7(6-15)12-11-13-9-4-3-8(18-2)5-10(9)19(16,17)14-11/h3-5,7,15H,6H2,1-2H3,(H2,12,13,14)/t7-/m1/s1
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n/an/a 4.93E+3n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50362993
PNG
(CHEMBL1944656)
Show SMILES COc1ccc2N=C(N[C@@H](C)CO)NS(=O)(=O)c2c1
Show InChI InChI=1S/C11H15N3O4S/c1-7(6-15)12-11-13-9-4-3-8(18-2)5-10(9)19(16,17)14-11/h3-5,7,15H,6H2,1-2H3,(H2,12,13,14)/t7-/m0/s1
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n/an/a 6.31E+3n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50362993
PNG
(CHEMBL1944656)
Show SMILES COc1ccc2N=C(N[C@@H](C)CO)NS(=O)(=O)c2c1
Show InChI InChI=1S/C11H15N3O4S/c1-7(6-15)12-11-13-9-4-3-8(18-2)5-10(9)19(16,17)14-11/h3-5,7,15H,6H2,1-2H3,(H2,12,13,14)/t7-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50362991
PNG
(CHEMBL1946273)
Show SMILES C[C@@H](CO)NC1=Nc2cc(Cl)ccc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12ClN3O3S/c1-6(5-15)12-10-13-8-4-7(11)2-3-9(8)18(16,17)14-10/h2-4,6,15H,5H2,1H3,(H2,12,13,14)/t6-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50362990
PNG
(CHEMBL1946138)
Show SMILES C[C@@H](CO)NC1=Nc2ccc(F)cc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12FN3O3S/c1-6(5-15)12-10-13-8-3-2-7(11)4-9(8)18(16,17)14-10/h2-4,6,15H,5H2,1H3,(H2,12,13,14)/t6-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50363000
PNG
(CHEMBL1946136)
Show SMILES COCC(C)NC1=Nc2ccc(F)cc2S(=O)(=O)N1
Show InChI InChI=1S/C11H14FN3O3S/c1-7(6-18-2)13-11-14-9-4-3-8(12)5-10(9)19(16,17)15-11/h3-5,7H,6H2,1-2H3,(H2,13,14,15)
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n/an/a 2.65E+4n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50362999
PNG
(CHEMBL1946134)
Show SMILES C[C@@H](CO)NC1=Nc2ccc(Cl)cc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12ClN3O3S/c1-6(5-15)12-10-13-8-3-2-7(11)4-9(8)18(16,17)14-10/h2-4,6,15H,5H2,1H3,(H2,12,13,14)/t6-/m0/s1
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n/an/a 3.75E+4n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8


(Rattus norvegicus)
BDBM50362989
PNG
(CHEMBL1945806)
Show SMILES CC(O)CNC1=Nc2ccc(Cl)cc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12ClN3O3S/c1-6(15)5-12-10-13-8-3-2-7(11)4-9(8)18(16,17)14-10/h2-4,6,15H,5H2,1H3,(H2,12,13,14)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ de Li£ge

Curated by ChEMBL


Assay Description
Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-induced insulin secretion


J Med Chem 54: 8353-61 (2011)


Article DOI: 10.1021/jm200786z
BindingDB Entry DOI: 10.7270/Q2WQ047Q
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 1


(Homo sapiens-HUMAN)
BDBM50130735
PNG
((7-Chloro-1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1...)
Show SMILES CC(C)NC1=Nc2ccc(Cl)cc2S(=O)(=O)N1
Show InChI InChI=1S/C10H12ClN3O2S/c1-6(2)12-10-13-8-4-3-7(11)5-9(8)17(15,16)14-10/h3-6H,1-2H3,(H2,12,13,14)
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n/an/an/an/a 250n/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repolarization of tolbutamide-induced membrane depolarization


J Med Chem 50: 2117-26 (2007)


Article DOI: 10.1021/jm061440p
BindingDB Entry DOI: 10.7270/Q2PK0FTT
More data for this
Ligand-Target Pair