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Compile Data Set for Download or QSAR

Found 274 hits with Last Name = 'whiteaker' and Initial = 'kl'   
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
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
BDBM86244
PNG
(A-312110)
Show SMILES Fc1ccc(cc1I)[C@@H]1C2C(=O)COCC2=NC2=C1S(=O)(=O)CC2 |r,c:17,19|
Show InChI InChI=1S/C16H13FINO4S/c17-9-2-1-8(5-10(9)18)14-15-12(6-23-7-13(15)20)19-11-3-4-24(21,22)16(11)14/h1-2,5,14-15H,3-4,6-7H2/t14-,15?/m1/s1
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4.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
BDBM86250
PNG
(CAS_60559-98-0 | NSC_43345 | P1075)
Show SMILES CCC(C)(C)N=C(NC#N)Nc1cccnc1 |w:5.4|
Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)
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10.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
BDBM86250
PNG
(CAS_60559-98-0 | NSC_43345 | P1075)
Show SMILES CCC(C)(C)N=C(NC#N)Nc1cccnc1 |w:5.4|
Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)
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10.7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Br J Pharmacol 143: 81-90 (2004)


Article DOI: 10.1038/sj.bjp.0705908
BindingDB Entry DOI: 10.7270/Q2QR4VQ0
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
BDBM86247
PNG
(BAY X 9228 | CAS_3038059 | NSC_3038059)
Show SMILES CCOc1ccccc1N=C(C[N+]([O-])=O)NC(C)C(C)(C)C |w:9.9|
Show InChI InChI=1S/C16H25N3O3/c1-6-22-14-10-8-7-9-13(14)18-15(11-19(20)21)17-12(2)16(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,17,18)
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16n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
BDBM86250
PNG
(CAS_60559-98-0 | NSC_43345 | P1075)
Show SMILES CCC(C)(C)N=C(NC#N)Nc1cccnc1 |w:5.4|
Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)
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20.6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
BDBM86247
PNG
(BAY X 9228 | CAS_3038059 | NSC_3038059)
Show SMILES CCOc1ccccc1N=C(C[N+]([O-])=O)NC(C)C(C)(C)C |w:9.9|
Show InChI InChI=1S/C16H25N3O3/c1-6-22-14-10-8-7-9-13(14)18-15(11-19(20)21)17-12(2)16(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,17,18)
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41.3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
BDBM86245
PNG
(CAS_85371-64-8 | NSC_4826 | PINACIDIL)
Show SMILES CC(N=C(NC#N)Nc1ccncc1)C(C)(C)C |w:2.1|
Show InChI InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)
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104n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
BDBM86251
PNG
(CAS_94535-50-9 | CROMAKALIM (-) | NSC_93504)
Show SMILES CC1(C)Oc2ccc(cc2C(C1O)N1CCCC1=O)C#N
Show InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3
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157n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
BDBM86245
PNG
(CAS_85371-64-8 | NSC_4826 | PINACIDIL)
Show SMILES CC(N=C(NC#N)Nc1ccncc1)C(C)(C)C |w:2.1|
Show InChI InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)
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251n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
BDBM86249
PNG
(ZD 6169 | ZD-6169)
Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
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451n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
BDBM86251
PNG
(CAS_94535-50-9 | CROMAKALIM (-) | NSC_93504)
Show SMILES CC1(C)Oc2ccc(cc2C(C1O)N1CCCC1=O)C#N
Show InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3
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542n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
BDBM86249
PNG
(ZD 6169 | ZD-6169)
Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
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630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
BDBM86246
PNG
(zm244085)
Show SMILES O=C1CCCC2=NC3=C(C(C12)c1cccc(c1)C#N)C(=O)CCC3 |c:7,t:5|
Show InChI InChI=1S/C20H18N2O2/c21-11-12-4-1-5-13(10-12)18-19-14(6-2-8-16(19)23)22-15-7-3-9-17(24)20(15)18/h1,4-5,10,18-19H,2-3,6-9H2
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671n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
BDBM86246
PNG
(zm244085)
Show SMILES O=C1CCCC2=NC3=C(C(C12)c1cccc(c1)C#N)C(=O)CCC3 |c:7,t:5|
Show InChI InChI=1S/C20H18N2O2/c21-11-12-4-1-5-13(10-12)18-19-14(6-2-8-16(19)23)22-15-7-3-9-17(24)20(15)18/h1,4-5,10,18-19H,2-3,6-9H2
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2.77E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
Calcium-activated potassium channel subunit beta


(GUINEA PIG)
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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 64: 143-53 (2003)


Article DOI: 10.1124/mol.64.1.143
BindingDB Entry DOI: 10.7270/Q22B8WMJ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50207140
PNG
(CHEMBL131352)
Show SMILES CCC(CC)(CCC#N)C(N\C(NC#N)=N\c1cccnc1)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H26ClN7O/c1-3-23(4-2,12-6-13-25)21(30-20(32)17-8-10-18(24)11-9-17)31-22(28-16-26)29-19-7-5-14-27-15-19/h5,7-11,14-15,21H,3-4,6,12H2,1-2H3,(H,30,32)(H2,28,29,31)
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n/an/an/an/a 5.01E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50207429
PNG
(CHEMBL130849)
Show SMILES CC(C)(CC(NC(=O)c1ccc(Cl)cc1)N\C(NC#N)=N\c1cccnc1)C=C
Show InChI InChI=1S/C21H23ClN6O/c1-4-21(2,3)12-18(27-19(29)15-7-9-16(22)10-8-15)28-20(25-14-23)26-17-6-5-11-24-13-17/h4-11,13,18H,1,12H2,2-3H3,(H,27,29)(H2,25,26,28)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50207690
PNG
(CHEMBL239512)
Show SMILES CC(Cl)(Cl)[C@H](N\C(Nc1cccnc1)=N\C#N)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15Cl3N6O/c1-17(19,20)15(25-14(27)11-4-6-12(18)7-5-11)26-16(23-10-21)24-13-3-2-8-22-9-13/h2-9,15H,1H3,(H,25,27)(H2,23,24,26)/t15-/m0/s1
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n/an/an/an/a 316n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50208312
PNG
(CHEMBL421903)
Show SMILES Clc1ccc(cc1)C(=O)NC(NC(=S)Nc1cccnc1)C(Cl)(Cl)Cl
Show InChI InChI=1S/C15H12Cl4N4OS/c16-10-5-3-9(4-6-10)12(24)22-13(15(17,18)19)23-14(25)21-11-2-1-7-20-8-11/h1-8,13H,(H,22,24)(H2,21,23,25)
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n/an/an/an/a 794n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50208313
PNG
(CHEMBL131347)
Show SMILES CC(C)(C)C(N\C(S)=N\c1cccnc1)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClN4OS/c1-18(2,3)16(22-15(24)12-6-8-13(19)9-7-12)23-17(25)21-14-5-4-10-20-11-14/h4-11,16H,1-3H3,(H,22,24)(H2,21,23,25)
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n/an/an/an/a 2.51E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50208316
PNG
(CHEMBL1788243)
Show SMILES CC(Cl)(Cl)[C@@H](N\C(NC#N)=N\c1cccnc1)NC(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H15Cl3N6O/c1-17(19,20)15(25-14(27)11-4-6-12(18)7-5-11)26-16(23-10-21)24-13-3-2-8-22-9-13/h2-9,15H,1H3,(H,25,27)(H2,23,24,26)/t15-/m1/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50208349
PNG
(CHEMBL128096)
Show SMILES Clc1ccc(cc1)C(=O)NC(\N=C(/NC#N)Nc1cccnc1)C(Cl)(Cl)Cl
Show InChI InChI=1S/C16H12Cl4N6O/c17-11-5-3-10(4-6-11)13(27)25-14(16(18,19)20)26-15(23-9-21)24-12-2-1-7-22-8-12/h1-8,14H,(H,25,27)(H2,23,24,26)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50208350
PNG
(CHEMBL128062)
Show SMILES Cc1cccc(c1)C(=O)NC(\N=C(/NC#N)Nc1cccnc1)C(C)(Cl)Cl
Show InChI InChI=1S/C18H18Cl2N6O/c1-12-5-3-6-13(9-12)15(27)25-16(18(2,19)20)26-17(23-11-21)24-14-7-4-8-22-10-14/h3-10,16H,1-2H3,(H,25,27)(H2,23,24,26)
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n/an/an/an/a 5.01E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50208351
PNG
(CHEMBL128767)
Show SMILES CCCCC(C)(C)C(N\C(NC#N)=N\c1cccnc1)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN6O/c1-4-5-12-22(2,3)20(28-19(30)16-8-10-17(23)11-9-16)29-21(26-15-24)27-18-7-6-13-25-14-18/h6-11,13-14,20H,4-5,12H2,1-3H3,(H,28,30)(H2,26,27,29)
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n/an/an/an/a<1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50208352
PNG
(CHEMBL129080)
Show SMILES CC(Cl)(Cl)C(N\C(NC#N)=N\c1cccnc1)NC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H15Cl3N6O/c1-17(19,20)15(25-14(27)11-4-2-5-12(18)8-11)26-16(23-10-21)24-13-6-3-7-22-9-13/h2-9,15H,1H3,(H,25,27)(H2,23,24,26)
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n/an/an/an/a 3.16E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50208424
PNG
(CHEMBL127164)
Show SMILES CC(C)(C)C(N\C(NC#N)=N\c1cccnc1)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN6O/c1-19(2,3)17(25-16(27)13-6-8-14(20)9-7-13)26-18(23-12-21)24-15-5-4-10-22-11-15/h4-11,17H,1-3H3,(H,25,27)(H2,23,24,26)
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n/an/an/an/a 6.31E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM86249
PNG
(ZD 6169 | ZD-6169)
Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
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n/an/an/an/a 398n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50209291
PNG
(CHEMBL131453)
Show SMILES CC(C)(C)C(N\C(N[N+]([O-])=O)=N\c1cccnc1)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClN6O3/c1-18(2,3)16(22-15(26)12-6-8-13(19)9-7-12)23-17(24-25(27)28)21-14-5-4-10-20-11-14/h4-11,16H,1-3H3,(H,22,26)(H2,21,23,24)
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n/an/an/an/a 3.16E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50209793
PNG
(CHEMBL335172)
Show SMILES CC(Cl)(Cl)C(N\C(NC#N)=N\c1cccnc1)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15Cl3N6O/c1-17(19,20)15(25-14(27)11-4-6-12(18)7-5-11)26-16(23-10-21)24-13-3-2-8-22-9-13/h2-9,15H,1H3,(H,25,27)(H2,23,24,26)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50210168
PNG
(CHEMBL130622)
Show SMILES CN(C)S(=O)(=O)N\C(Nc1cccnc1)=N/C(NC(=O)c1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C20H27ClN6O3S/c1-20(2,3)18(24-17(28)14-8-10-15(21)11-9-14)25-19(26-31(29,30)27(4)5)23-16-7-6-12-22-13-16/h6-13,18H,1-5H3,(H,24,28)(H2,23,25,26)
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n/an/an/an/a<1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50210172
PNG
(CHEMBL340330)
Show SMILES CC(Cl)(Cl)C(N\C(NC#N)=N\c1cccnc1)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H15Cl2FN6O/c1-17(18,19)15(25-14(27)11-4-2-5-12(20)8-11)26-16(23-10-21)24-13-6-3-7-22-9-13/h2-9,15H,1H3,(H,25,27)(H2,23,24,26)
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n/an/an/an/a 3.98E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50210355
PNG
(CHEMBL132277)
Show SMILES CC(C)(CC=C)C(NC(=O)c1ccc(Cl)cc1)N\C(NC#N)=N\c1cccnc1
Show InChI InChI=1S/C21H23ClN6O/c1-4-11-21(2,3)19(27-18(29)15-7-9-16(22)10-8-15)28-20(25-14-23)26-17-6-5-12-24-13-17/h4-10,12-13,19H,1,11H2,2-3H3,(H,27,29)(H2,25,26,28)
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n/an/an/an/a 2.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50211661
PNG
(CHEMBL128862)
Show SMILES Cc1ccc(cc1)C(=O)NC(\N=C(/NC#N)Nc1cccnc1)C(C)(Cl)Cl
Show InChI InChI=1S/C18H18Cl2N6O/c1-12-5-7-13(8-6-12)15(27)25-16(18(2,19)20)26-17(23-11-21)24-14-4-3-9-22-10-14/h3-10,16H,1-2H3,(H,25,27)(H2,23,24,26)
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n/an/an/an/a 2.51E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50211662
PNG
(CHEMBL131993)
Show SMILES CC(C)(C)C(N\C(NS(N)(=O)=O)=N\c1cccnc1)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClN6O3S/c1-18(2,3)16(23-15(26)12-6-8-13(19)9-7-12)24-17(25-29(20,27)28)22-14-5-4-10-21-11-14/h4-11,16H,1-3H3,(H,23,26)(H2,20,27,28)(H2,22,24,25)
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n/an/an/an/a<1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50211663
PNG
(CHEMBL128831)
Show SMILES CC(Cl)(Cl)C(N\C(NC#N)=N\c1cccnc1)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C17H15BrCl2N6O/c1-17(19,20)15(25-14(27)11-4-6-12(18)7-5-11)26-16(23-10-21)24-13-3-2-8-22-9-13/h2-9,15H,1H3,(H,25,27)(H2,23,24,26)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475953
PNG
(CHEMBL384564)
Show SMILES CC[C@@H]1OC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(F)c(Br)c1 |t:5,8,16|
Show InChI InChI=1S/C18H15BrFNO4/c1-2-13-17-16(18(23)25-13)14(8-3-4-10(20)9(19)5-8)15-11(21-17)6-24-7-12(15)22/h3-5,13-14,23H,2,6-7H2,1H3/t13-,14+/m0/s1
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n/an/an/an/a 145n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475954
PNG
(CHEMBL216256)
Show SMILES CC[C@H]1OCC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(Cl)c(Cl)c1 |t:6,9,17|
Show InChI InChI=1S/C19H17Cl2NO4/c1-2-15-19-18(14(24)8-26-15)16(9-3-4-10(20)11(21)5-9)17-12(22-19)6-25-7-13(17)23/h3-5,15-16,24H,2,6-8H2,1H3/t15-,16-/m1/s1
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n/an/an/an/a 169n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475954
PNG
(CHEMBL216256)
Show SMILES CC[C@H]1OCC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(Cl)c(Cl)c1 |t:6,9,17|
Show InChI InChI=1S/C19H17Cl2NO4/c1-2-15-19-18(14(24)8-26-15)16(9-3-4-10(20)11(21)5-9)17-12(22-19)6-25-7-13(17)23/h3-5,15-16,24H,2,6-8H2,1H3/t15-,16-/m1/s1
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n/an/an/an/a 467n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50062397
PNG
(3N-cyanoimino(tert-pentylamino)methyl-3-pyridinami...)
Show SMILES CCC(C)(C)NC(NC#N)=Nc1cccnc1 |w:10.10|
Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)
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n/an/an/an/a 52n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475955
PNG
(CHEMBL386853)
Show SMILES CC[C@H]1OCC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(F)c(I)c1 |t:6,9,17|
Show InChI InChI=1S/C19H17FINO4/c1-2-15-19-18(14(24)8-26-15)16(9-3-4-10(20)11(21)5-9)17-12(22-19)6-25-7-13(17)23/h3-5,15-16,24H,2,6-8H2,1H3/t15-,16-/m1/s1
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n/an/an/an/a 2.95E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475956
PNG
(CHEMBL426874)
Show SMILES CC[C@H]1OC(O)=C2[C@@H](C3=C(COC(C)(C)C3=O)N=C12)c1ccc(F)c(Br)c1 |t:5,8,18|
Show InChI InChI=1S/C20H19BrFNO4/c1-4-13-17-16(19(25)27-13)14(9-5-6-11(22)10(21)7-9)15-12(23-17)8-26-20(2,3)18(15)24/h5-7,13-14,25H,4,8H2,1-3H3/t13-,14-/m1/s1
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n/an/an/an/a 436n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM86249
PNG
(ZD 6169 | ZD-6169)
Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1
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n/an/an/an/a 1.35E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475957
PNG
(CHEMBL214616)
Show SMILES CC(C)[C@@H]1OC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(F)c(Br)c1 |t:6,9,17|
Show InChI InChI=1S/C19H17BrFNO4/c1-8(2)18-17-16(19(24)26-18)14(9-3-4-11(21)10(20)5-9)15-12(22-17)6-25-7-13(15)23/h3-5,8,14,18,24H,6-7H2,1-2H3/t14-,18+/m1/s1
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n/an/an/an/a<1.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475958
PNG
(CHEMBL424726)
Show SMILES CC[C@H]1OC(O)=C2[C@@H](C3=C(COC3=O)N=C12)c1ccc(F)c(Br)c1 |t:5,8,15|
Show InChI InChI=1S/C17H13BrFNO4/c1-2-11-15-14(17(22)24-11)12(7-3-4-9(19)8(18)5-7)13-10(20-15)6-23-16(13)21/h3-5,11-12,22H,2,6H2,1H3/t11-,12-/m1/s1
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n/an/an/an/a 72n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475959
PNG
(CHEMBL214566)
Show SMILES CCC[C@H]1OC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(F)c(Cl)c1 |t:6,9,17|
Show InChI InChI=1S/C19H17ClFNO4/c1-2-3-14-18-17(19(24)26-14)15(9-4-5-11(21)10(20)6-9)16-12(22-18)7-25-8-13(16)23/h4-6,14-15,24H,2-3,7-8H2,1H3/t14-,15-/m1/s1
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n/an/an/an/a 91.2n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475960
PNG
(CHEMBL215026)
Show SMILES CCC[C@H]1OC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(Br)c(Br)c1 |t:6,9,17|
Show InChI InChI=1S/C19H17Br2NO4/c1-2-3-14-18-17(19(24)26-14)15(9-4-5-10(20)11(21)6-9)16-12(22-18)7-25-8-13(16)23/h4-6,14-15,24H,2-3,7-8H2,1H3/t14-,15-/m1/s1
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n/an/an/an/a 1.14E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475961
PNG
(CHEMBL214841)
Show SMILES CCC[C@H]1OC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(F)c(Br)c1 |t:6,9,17|
Show InChI InChI=1S/C19H17BrFNO4/c1-2-3-14-18-17(19(24)26-14)15(9-4-5-11(21)10(20)6-9)16-12(22-18)7-25-8-13(16)23/h4-6,14-15,24H,2-3,7-8H2,1H3/t14-,15-/m1/s1
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n/an/an/an/a 29n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Activity against pig bladder KATP channel opening assessed as ability to relax spontaneous bladder contraction


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475962
PNG
(CHEMBL215681)
Show SMILES CC[C@@H]1OCC2=C([C@H](C3=C(O)OCC3=N2)c2ccc(F)c(Br)c2)C1=O |c:8,14,t:5|
Show InChI InChI=1S/C18H15BrFNO4/c1-2-13-17(22)15-11(6-24-13)21-12-7-25-18(23)16(12)14(15)8-3-4-10(20)9(19)5-8/h3-5,13-14,23H,2,6-7H2,1H3/t13-,14+/m0/s1
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n/an/an/an/a 891n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Activity against pig bladder KATP channel opening assessed as ability to relax field-stimulated pig detrusor


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475954
PNG
(CHEMBL216256)
Show SMILES CC[C@H]1OCC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(Cl)c(Cl)c1 |t:6,9,17|
Show InChI InChI=1S/C19H17Cl2NO4/c1-2-15-19-18(14(24)8-26-15)16(9-3-4-10(20)11(21)5-9)17-12(22-19)6-25-7-13(17)23/h3-5,15-16,24H,2,6-8H2,1H3/t15-,16-/m1/s1
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n/an/an/an/a 2.29E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Activity against pig bladder KATP channel opening assessed as ability to relax field-stimulated pig detrusor


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
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