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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50043245   
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
Kir3.1/Kir3.4


(Homo sapiens (Human))
BDBM50437968
PNG
(CHEMBL2409134)
Show SMILES CC(C)c1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)n(Cc2ccccc2)n1
Show InChI InChI=1S/C21H21F3N4O/c1-14(2)18-12-19(28(27-18)13-15-7-4-3-5-8-15)26-20(29)25-17-10-6-9-16(11-17)21(22,23)24/h3-12,14H,13H2,1-2H3,(H2,25,26,29)
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n/an/an/an/a 3.50E+3n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50115223
PNG
(1-(5-Methyl-2-phenyl-2H-pyrazol-3-yl)-3-phenyl-ure...)
Show SMILES Cc1cc(NC(=O)Nc2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-13-12-16(21(20-13)15-10-6-3-7-11-15)19-17(22)18-14-8-4-2-5-9-14/h2-12H,1H3,(H2,18,19,22)
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n/an/an/an/a 690n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437970
PNG
(CHEMBL2409132)
Show SMILES Fc1ccc(NC(=O)Nc2cc(nn2Cc2ccccc2)C2CC2)cc1Cl
Show InChI InChI=1S/C20H18ClFN4O/c21-16-10-15(8-9-17(16)22)23-20(27)24-19-11-18(14-6-7-14)25-26(19)12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2,(H2,23,24,27)
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n/an/an/an/a 320n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437971
PNG
(CHEMBL2409131)
Show SMILES Fc1ccc(NC(=O)Nc2cc(nn2Cc2ccccc2)C2CC2)cc1
Show InChI InChI=1S/C20H19FN4O/c21-16-8-10-17(11-9-16)22-20(26)23-19-12-18(15-6-7-15)24-25(19)13-14-4-2-1-3-5-14/h1-5,8-12,15H,6-7,13H2,(H2,22,23,26)
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n/an/an/an/a 570n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437972
PNG
(CHEMBL2409130)
Show SMILES Cc1ccc(NC(=O)Nc2cc(nn2Cc2ccccc2)C2CC2)cc1
Show InChI InChI=1S/C21H22N4O/c1-15-7-11-18(12-8-15)22-21(26)23-20-13-19(17-9-10-17)24-25(20)14-16-5-3-2-4-6-16/h2-8,11-13,17H,9-10,14H2,1H3,(H2,22,23,26)
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n/an/an/an/a 920n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437973
PNG
(CHEMBL2409129)
Show SMILES Brc1cccc(NC(=O)Nc2cc(nn2Cc2ccccc2)C2CC2)c1
Show InChI InChI=1S/C20H19BrN4O/c21-16-7-4-8-17(11-16)22-20(26)23-19-12-18(15-9-10-15)24-25(19)13-14-5-2-1-3-6-14/h1-8,11-12,15H,9-10,13H2,(H2,22,23,26)
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n/an/an/an/a 790n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437974
PNG
(CHEMBL2409128)
Show SMILES Fc1cccc(NC(=O)Nc2cc(nn2Cc2ccccc2)C2CC2)c1
Show InChI InChI=1S/C20H19FN4O/c21-16-7-4-8-17(11-16)22-20(26)23-19-12-18(15-9-10-15)24-25(19)13-14-5-2-1-3-6-14/h1-8,11-12,15H,9-10,13H2,(H2,22,23,26)
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n/an/an/an/a 780n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437975
PNG
(CHEMBL2409127)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cc(nn2Cc2ccccc2)C2CC2)c1
Show InChI InChI=1S/C21H19F3N4O/c22-21(23,24)16-7-4-8-17(11-16)25-20(29)26-19-12-18(15-9-10-15)27-28(19)13-14-5-2-1-3-6-14/h1-8,11-12,15H,9-10,13H2,(H2,25,26,29)
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n/an/an/an/a 650n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437976
PNG
(CHEMBL2409120)
Show SMILES Clc1cccc(NC(=O)Nc2cc(nn2-c2ccccc2)C2CC2)c1
Show InChI InChI=1S/C19H17ClN4O/c20-14-5-4-6-15(11-14)21-19(25)22-18-12-17(13-9-10-13)23-24(18)16-7-2-1-3-8-16/h1-8,11-13H,9-10H2,(H2,21,22,25)
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n/an/an/an/a 720n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437963
PNG
(CHEMBL2409117)
Show SMILES Fc1ccc(NC(=O)Nc2cc(nn2-c2ccccc2)C(F)(F)F)cc1F
Show InChI InChI=1S/C17H11F5N4O/c18-12-7-6-10(8-13(12)19)23-16(27)24-15-9-14(17(20,21)22)25-26(15)11-4-2-1-3-5-11/h1-9H,(H2,23,24,27)
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n/an/an/an/a 3.00E+4n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437965
PNG
(CHEMBL2409115)
Show SMILES Fc1ccc(NC(=O)Nc2cc(nn2-c2ccccc2)C2CCC2)cc1F
Show InChI InChI=1S/C20H18F2N4O/c21-16-10-9-14(11-17(16)22)23-20(27)24-19-12-18(13-5-4-6-13)25-26(19)15-7-2-1-3-8-15/h1-3,7-13H,4-6H2,(H2,23,24,27)
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n/an/an/an/a 3.00E+4n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437977
PNG
(CHEMBL2409113)
Show SMILES Fc1ccc(NC(=O)Nc2cc(nn2-c2ccccc2)C2CC2)cc1F
Show InChI InChI=1S/C19H16F2N4O/c20-15-9-8-13(10-16(15)21)22-19(26)23-18-11-17(12-6-7-12)24-25(18)14-4-2-1-3-5-14/h1-5,8-12H,6-7H2,(H2,22,23,26)
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n/an/an/an/a 3.00E+4n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437967
PNG
(CHEMBL2409112)
Show SMILES Fc1ccc(NC(=O)Nc2cc(nn2-c2ccccc2)-c2ccccc2)cc1F
Show InChI InChI=1S/C22H16F2N4O/c23-18-12-11-16(13-19(18)24)25-22(29)26-21-14-20(15-7-3-1-4-8-15)27-28(21)17-9-5-2-6-10-17/h1-14H,(H2,25,26,29)
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n/an/an/an/a 3.00E+4n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437978
PNG
(CHEMBL2409111)
Show SMILES Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(n1)-c1ccncc1
Show InChI InChI=1S/C16H13F2N5O/c1-10-8-15(23(22-10)12-4-6-19-7-5-12)21-16(24)20-11-2-3-13(17)14(18)9-11/h2-9H,1H3,(H2,20,21,24)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437979
PNG
(CHEMBL2409110)
Show SMILES Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(Cc2ccccc2)n1
Show InChI InChI=1S/C18H16F2N4O/c1-12-9-17(24(23-12)11-13-5-3-2-4-6-13)22-18(25)21-14-7-8-15(19)16(20)10-14/h2-10H,11H2,1H3,(H2,21,22,25)
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n/an/an/an/a 110n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437980
PNG
(CHEMBL2409109)
Show SMILES Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(n1)-c1ccccn1
Show InChI InChI=1S/C16H13F2N5O/c1-10-8-15(23(22-10)14-4-2-3-7-19-14)21-16(24)20-11-5-6-12(17)13(18)9-11/h2-9H,1H3,(H2,20,21,24)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437981
PNG
(CHEMBL2409108)
Show SMILES Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H13F3N4O/c1-10-8-16(24(23-10)13-5-2-11(18)3-6-13)22-17(25)21-12-4-7-14(19)15(20)9-12/h2-9H,1H3,(H2,21,22,25)
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n/an/an/an/a 540n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437982
PNG
(CHEMBL2409107)
Show SMILES Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(CC(F)(F)F)n1
Show InChI InChI=1S/C13H11F5N4O/c1-7-4-11(22(21-7)6-13(16,17)18)20-12(23)19-8-2-3-9(14)10(15)5-8/h2-5H,6H2,1H3,(H2,19,20,23)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437983
PNG
(CHEMBL2409106)
Show SMILES Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C17H14F2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM50437969
PNG
(CHEMBL2409133)
Show SMILES CC(C)c1cc(NC(=O)Nc2cccc(Cl)c2)n(Cc2ccccc2)n1
Show InChI InChI=1S/C20H21ClN4O/c1-14(2)18-12-19(25(24-18)13-15-7-4-3-5-8-15)23-20(26)22-17-10-6-9-16(21)11-17/h3-12,14H,13H2,1-2H3,(H2,22,23,26)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Activation of GIRK1/4 (unknown origin)


Bioorg Med Chem Lett 23: 4562-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.023
BindingDB Entry DOI: 10.7270/Q2R212SN
More data for this
Ligand-Target Pair