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Compile Data Set for Download or QSAR

Found 320 hits Enz. Inhib. hit(s) with Target = 'G protein-activated inward rectifier potassium channel 1'   
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 1/4


(Homo sapiens (Human))
BDBM585716
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- ((2-(2-(2-(2- h...)
Show SMILES Cc1cc(=O)c2c(NCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(12.06,-4.58,;10.73,-3.81,;9.39,-4.58,;8.06,-3.81,;6.73,-4.58,;8.06,-2.27,;6.73,-1.5,;5.39,-2.27,;4.06,-1.5,;2.72,-2.27,;1.39,-1.5,;.06,-2.27,;-1.28,-1.5,;-2.61,-2.27,;-3.94,-1.5,;-5.28,-2.27,;-6.61,-1.5,;-7.94,-2.27,;-9.28,-1.5,;-10.61,-2.27,;6.73,.04,;8.06,.81,;9.39,.04,;10.73,.81,;9.39,-1.5,;10.73,-2.27,;12.06,-1.5,;13.39,-2.27,;13.39,-3.81,;14.73,-1.5,;14.73,.04,;13.39,.81,;12.06,.04,;11.43,1.45,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585717
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- (2,3-dihydroxyp...)
Show SMILES Cc1cc(=O)c2c(OCC(O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4.67,-.14,;3.33,-.91,;3.33,-2.45,;2,-3.22,;2,-4.76,;.67,-2.45,;-.67,-3.22,;-.67,-4.76,;-2,-5.53,;-3.33,-4.76,;-4.67,-5.53,;-3.33,-3.22,;-4.67,-2.45,;-2,-2.45,;-2,-.91,;-.67,-.14,;-.67,1.4,;.67,-.91,;2,-.14,;2,2.45,;.67,3.22,;-.67,2.45,;.67,4.76,;2,5.53,;3.33,4.76,;3.33,3.22,;4.67,2.45,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585715
PNG
(N-(2-((8-chloro-1-(2,6- dichlorophenyl)-2-methyl-4...)
Show SMILES Cc1cc(=O)c2c(OCCNS(C)(=O)=O)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4.77,3.08,;3.44,2.31,;3.44,.77,;2.1,,;2.1,-1.54,;.77,.77,;-.56,,;-.56,-1.54,;-1.9,-2.31,;-1.9,-3.85,;-3.23,-4.62,;-3.23,-6.16,;-3.23,-7.7,;-4.77,-6.16,;-1.69,-6.16,;-1.9,.77,;-1.9,2.31,;-.56,3.08,;-.56,4.62,;.77,2.31,;2.1,3.08,;2.1,4.62,;.77,5.39,;-.56,6.16,;.77,6.93,;2.1,7.7,;3.44,6.93,;3.44,5.39,;4.77,4.62,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585727
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- (2-hydroxyethox...)
Show SMILES Cc1cc(=O)c2c(OCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,1.07,;2.67,.3,;2.67,-1.24,;1.33,-2.01,;1.33,-3.55,;,-1.24,;-1.33,-2.01,;-1.33,-3.55,;-2.67,-4.32,;-2.67,-5.86,;-4,-6.63,;-2.67,-1.24,;-2.67,.3,;-1.33,1.07,;-1.33,2.61,;,.3,;1.33,1.07,;1.33,3.55,;2.67,4.32,;4,3.55,;2.67,5.86,;1.33,6.63,;,5.86,;,4.32,;-1.33,3.55,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585729
PNG
(8-chloro-1-(2,6-dichlorophenyl)-2- methyl-5-(oxeta...)
Show SMILES Cc1cc(=O)c2c(OCC3COC3)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(3.88,2.24,;2.55,1.47,;2.55,-.07,;1.21,-.84,;1.21,-2.38,;-.12,-.07,;-1.46,-.84,;-1.46,-2.38,;-2.79,-3.15,;-2.79,-4.69,;-3.88,-5.78,;-2.79,-6.86,;-1.7,-5.78,;-2.79,-.07,;-2.79,1.47,;-1.46,2.24,;-1.46,3.78,;-.12,1.47,;1.21,2.24,;1.21,3.78,;-.12,4.55,;-1.46,5.32,;-.12,6.09,;1.21,6.86,;2.55,6.09,;2.55,4.55,;3.88,3.78,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585741
PNG
(US11530213, Example 62)
Show SMILES OCC(O)COc1ncc(Cl)c2n(c(cc(=O)c12)C(F)F)-c1c(Cl)cccc1Cl |(-4.27,-7.27,;-4.67,-5.78,;-3.33,-5.01,;-2.25,-6.1,;-3.33,-3.47,;-2,-2.7,;-2,-1.16,;-3.33,-.39,;-3.33,1.15,;-2,1.92,;-2,3.46,;-.67,1.15,;.67,1.92,;2,1.15,;2,-.39,;.67,-1.16,;.67,-2.7,;-.67,-.39,;3.33,1.92,;4.67,1.15,;4.1,3.25,;.67,4.19,;-.67,4.96,;-2,4.19,;-.67,6.5,;.67,7.27,;2,6.5,;2,4.96,;3.33,4.19,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585719
PNG
(8-chloro-1-(2,6-chlorophenyl)-5- (2,3-dihydroxy-3-...)
Show SMILES Cc1cc(=O)c2c(OCC(O)C(C)(C)O)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(3.33,1.78,;2,1.01,;2,-.53,;.67,-1.3,;.67,-2.84,;-.67,-.53,;-2,-1.3,;-2,-2.84,;-.67,-3.61,;-.67,-5.15,;-2,-5.92,;.67,-5.92,;.67,-7.46,;2,-5.15,;2,-6.69,;-3.33,-.53,;-3.33,1.01,;-2,1.78,;-2,3.32,;-.67,1.01,;.67,1.78,;.67,4.38,;-.67,5.15,;-2,4.38,;-.67,6.69,;.67,7.46,;2,6.69,;2,5.15,;3.33,4.38,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585738
PNG
(US11530213, Example 59)
Show SMILES Cc1cc(=O)c2c(OC[C@@H](O)C(C)(C)O)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |r,wD:9.9,(3.33,1.78,;2,1.01,;2,-.53,;.67,-1.3,;.67,-2.84,;-.67,-.53,;-2,-1.3,;-2,-2.84,;-.67,-3.61,;-.67,-5.15,;-2,-5.92,;.67,-5.92,;.67,-7.46,;2,-5.15,;2,-6.69,;-3.33,-.53,;-3.33,1.01,;-2,1.78,;-2,3.32,;-.67,1.01,;.67,1.78,;.67,4.38,;-.67,5.15,;-2,4.38,;-.67,6.69,;.67,7.46,;2,6.69,;2,5.15,;3.33,4.38,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585718
PNG
((S)-8-chloro-1-(2,6- dichlorophenyl)-5-((2,3- dihy...)
Show SMILES Cc1cc(=O)c2c(NC[C@H](O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |r,wD:9.9,(4.67,-.14,;3.33,-.91,;3.33,-2.45,;2,-3.22,;2,-4.76,;.67,-2.45,;-.67,-3.22,;-.67,-4.76,;-2,-5.53,;-3.33,-4.76,;-4.67,-5.53,;-3.33,-3.22,;-4.67,-2.45,;-2,-2.45,;-2,-.91,;-.67,-.14,;-.67,1.4,;.67,-.91,;2,-.14,;2,2.45,;.67,3.22,;-.67,2.45,;.67,4.76,;2,5.53,;3.33,4.76,;3.33,3.22,;4.67,2.45,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585721
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- (2-hydroxy-2-me...)
Show SMILES Cc1cc(=O)c2c(OCC(C)(C)O)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,1.54,;2.67,.77,;2.67,-.77,;1.33,-1.54,;1.33,-3.08,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-1.33,-6.16,;-1.33,-4.62,;-4,-6.16,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-1.33,3.08,;,.77,;1.33,1.54,;1.33,3.08,;,3.85,;-1.33,4.62,;,5.39,;1.33,6.16,;2.67,5.39,;2.67,3.85,;4,3.08,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585742
PNG
(US11530213, Example 63)
Show SMILES OCC(O)COc1ncc(Cl)c2n(c(cc(=O)c12)C#N)-c1c(Cl)cccc1Cl |(-4.67,-7.29,;-4.67,-5.75,;-3.33,-4.98,;-2,-5.75,;-3.33,-3.44,;-2,-2.67,;-2,-1.13,;-3.33,-.36,;-3.33,1.18,;-2,1.95,;-2,3.49,;-.67,1.18,;.67,1.95,;2,1.18,;2,-.36,;.67,-1.13,;.67,-2.67,;-.67,-.36,;3.33,1.95,;4.67,2.72,;.67,4.21,;-.67,4.98,;-2,4.21,;-.67,6.52,;.67,7.29,;2,6.52,;2,4.98,;3.33,4.21,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585737
PNG
(US11530213, Example 58)
Show SMILES Cc1cc(=O)c2c(OC[C@H](O)C(C)(C)O)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |r,wU:9.9,(3.33,1.78,;2,1.01,;2,-.53,;.67,-1.3,;.67,-2.84,;-.67,-.53,;-2,-1.3,;-2,-2.84,;-.67,-3.61,;-.67,-5.15,;-2,-5.92,;.67,-5.92,;.67,-7.46,;2,-5.15,;2,-6.69,;-3.33,-.53,;-3.33,1.01,;-2,1.78,;-2,3.32,;-.67,1.01,;.67,1.78,;.67,4.38,;-.67,5.15,;-2,4.38,;-.67,6.69,;.67,7.46,;2,6.69,;2,5.15,;3.33,4.38,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585764
PNG
(US11530213, Example 85)
Show SMILES Cc1cc(=O)c2c(ncc(Cl)c2n1-c1c(Cl)cccc1Cl)C(O)CO |(3.33,.79,;2,.02,;2,-1.52,;.67,-2.29,;.67,-3.83,;-.67,-1.52,;-2,-2.29,;-3.33,-1.52,;-3.33,.02,;-2,.79,;-2,2.33,;-.67,.02,;.67,.79,;.67,3.06,;2,3.83,;3.33,3.06,;2,5.37,;.67,6.14,;-.67,5.37,;-.67,3.83,;-2,3.06,;-2,-3.83,;-3.33,-4.6,;-.67,-4.6,;-.67,-6.14,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585760
PNG
(US11530213, Example 81)
Show SMILES Cc1cc(=O)c2c(CC(O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,1.18,;2.67,.41,;2.67,-1.13,;1.33,-1.9,;1.33,-3.44,;,-1.13,;-1.33,-1.9,;-1.33,-3.44,;-2.67,-4.21,;-4,-3.44,;-2.67,-5.75,;-4,-6.52,;-2.67,-1.13,;-2.67,.41,;-1.33,1.18,;-1.33,2.72,;,.41,;1.33,1.18,;1.33,3.44,;2.67,4.21,;4,3.44,;2.67,5.75,;1.33,6.52,;,5.75,;,4.21,;-1.33,3.44,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585768
PNG
(US11530213, Example 89)
Show SMILES Cc1cc(=O)c2c(ncc(Cl)c2n1-c1c(Cl)cccc1Cl)C(C)(O)C(=O)CO |(4.67,.79,;3.33,.02,;3.33,-1.52,;2,-2.29,;2,-3.83,;.67,-1.52,;-.67,-2.29,;-2,-1.52,;-2,.02,;-.67,.79,;-.67,2.33,;.67,.02,;2,.79,;2,3.06,;.67,3.83,;-.67,3.06,;.67,5.37,;2,6.14,;3.33,5.37,;3.33,3.83,;4.67,3.06,;-.67,-3.83,;.42,-2.74,;.1,-5.16,;-2,-4.6,;-2,-6.14,;-3.33,-3.83,;-4.67,-4.6,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585694
PNG
(5-(2,5,8,11,14,17- hexaoxanonadecan-19-yloxy)-8- c...)
Show SMILES COCCOCCOCCOCCOCCOCCOc1ncc(Cl)c2n(c(C)cc(=O)c12)-c1c(Cl)cccc1Cl |(-8.28,2.64,;-8.68,1.16,;-7.59,.07,;-7.99,-1.42,;-6.9,-2.51,;-7.3,-4,;-6.21,-5.09,;-6.61,-6.57,;-5.84,-7.91,;-4.3,-7.91,;-3.53,-9.24,;-1.99,-9.24,;-1.99,-7.7,;-.66,-6.93,;-.66,-5.39,;.68,-4.62,;.68,-3.08,;2.01,-2.31,;2.01,-.77,;3.35,,;3.35,1.54,;2.01,2.31,;2.01,3.85,;3.35,4.62,;3.35,6.16,;4.68,3.85,;6.01,4.62,;7.35,3.85,;8.68,4.62,;7.35,2.31,;6.01,1.54,;6.01,,;4.68,2.31,;6.01,6.16,;4.68,6.93,;3.35,7.7,;4.68,8.47,;6.01,9.24,;7.35,8.47,;7.35,6.93,;8.68,6.16,)|
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Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585709
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- (2-(2-(2-(2- hy...)
Show SMILES Cc1cc(=O)c2c(OCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(12.06,-4.58,;10.73,-3.81,;9.39,-4.58,;8.06,-3.81,;6.73,-4.58,;8.06,-2.27,;6.73,-1.5,;5.39,-2.27,;4.06,-1.5,;2.72,-2.27,;1.39,-1.5,;.06,-2.27,;-1.28,-1.5,;-2.61,-2.27,;-3.94,-1.5,;-5.28,-2.27,;-6.61,-1.5,;-7.94,-2.27,;-9.28,-1.5,;-10.61,-2.27,;6.73,.04,;8.06,.81,;9.39,.04,;10.73,.81,;9.39,-1.5,;10.73,-2.27,;12.06,-1.5,;13.39,-2.27,;13.39,-3.81,;14.73,-1.5,;14.73,.04,;13.39,.81,;12.06,.04,;11.43,1.45,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585722
PNG
(3,5-dichloro-4-(8-chloro-5- (((3R,4S)-4- hydroxyte...)
Show SMILES Cc1cc(=O)c2c(N[C@@H]3COC[C@H]3O)ncc(Cl)c2n1-c1c(Cl)cc(cc1Cl)C#N |r,wU:8.7,wD:12.13,(4.52,-.47,;3.19,-1.24,;3.19,-2.78,;1.85,-3.55,;1.85,-5.09,;.52,-2.78,;-.82,-3.55,;-.82,-5.09,;-2.15,-5.86,;-3.61,-5.38,;-4.52,-6.63,;-3.61,-7.87,;-2.15,-7.4,;-.82,-8.17,;-2.15,-2.78,;-2.15,-1.24,;-.82,-.47,;-.82,1.07,;.52,-1.24,;1.85,-.47,;1.85,2.01,;3.19,2.78,;4.52,2.01,;3.19,4.32,;1.85,5.14,;.52,4.32,;.52,2.78,;-.82,2.01,;1.85,6.68,;1.85,8.22,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585720
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- (3-hydroxy-2-(h...)
Show SMILES Cc1cc(=O)c2c(OCC(C)(CO)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4.67,2.31,;3.33,1.54,;3.33,,;2,-.77,;2,-2.31,;.67,,;-.67,-.77,;-.67,-2.31,;-2,-3.08,;-2,-4.62,;-.67,-3.85,;-.67,-5.39,;-.67,-6.93,;-3.33,-5.39,;-4.67,-4.62,;-2,,;-2,1.54,;-.67,2.31,;-.67,3.85,;.67,1.54,;2,2.31,;2,3.85,;.67,4.62,;-.67,5.39,;.67,6.16,;2,6.93,;3.33,6.16,;3.33,4.62,;4.67,3.85,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585732
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- (3-hydroxy-2- (...)
Show SMILES COCc1cc(=O)c2c(OCC(CO)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4.67,-.77,;4.67,.77,;3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;.67,-3.08,;-.67,-.77,;-2,-1.54,;-2,-3.08,;-3.33,-3.85,;-3.33,-5.39,;-2,-6.16,;-.67,-5.39,;-4.67,-6.16,;-6,-5.39,;-3.33,-.77,;-3.33,.77,;-2,1.54,;-2,3.08,;-.67,.77,;.67,1.54,;.67,3.08,;-.67,3.85,;-2,4.62,;-.67,5.39,;.67,6.16,;2,5.39,;2,3.85,;3.33,3.08,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585733
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- (2,3-dihydroxyp...)
Show SMILES COCc1cc(=O)c2c(OCC(O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;,-3.08,;-1.33,-.77,;-2.67,-1.54,;-2.67,-3.08,;-4,-3.85,;-4,-5.39,;-5.33,-6.16,;-2.67,-6.16,;-1.33,-5.39,;-4,-.77,;-4,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,.77,;,1.54,;,3.08,;-1.33,3.85,;-2.67,4.62,;-1.33,5.39,;,6.16,;1.33,5.39,;1.33,3.85,;2.67,3.08,)|
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Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585705
PNG
(8-chloro-1-(2,6-dichlorophenyl)-2- methyl-5-(2,3,4...)
Show SMILES Cc1cc(=O)c2c(OCC(O)C(O)CO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,2.11,;2.67,1.34,;2.67,-.2,;1.33,-.97,;1.33,-2.51,;,-.2,;-1.33,-.97,;-1.33,-2.51,;-2.67,-3.28,;-2.67,-4.82,;-4,-5.59,;-1.33,-5.59,;,-4.82,;-1.33,-7.13,;,-7.9,;-2.67,-.2,;-2.67,1.34,;-1.33,2.11,;-1.33,3.65,;,1.34,;1.33,2.11,;1.33,4.82,;,5.59,;-1.33,4.82,;,7.13,;1.33,7.9,;2.67,7.13,;2.67,5.59,;4,4.82,)|
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Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585736
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- ((2,2-dimethyl-...)
Show SMILES CC1(C)OCC(COc2ncc(Cl)c3n(c(CO)cc(=O)c23)-c2c(Cl)cccc2Cl)O1 |(-2.21,-8.21,;-2.61,-6.72,;-1.12,-7.12,;-4.15,-6.72,;-4.62,-5.26,;-3.38,-4.35,;-3.38,-2.81,;-2.04,-2.04,;-2.04,-.5,;-3.38,.27,;-3.38,1.81,;-2.04,2.58,;-2.04,4.12,;-.71,1.81,;.62,2.58,;1.96,1.81,;3.29,2.58,;4.62,1.81,;1.96,.27,;.62,-.5,;.62,-2.04,;-.71,.27,;.62,5.13,;-.71,5.9,;-2.04,5.13,;-.71,7.44,;.62,8.21,;1.96,7.44,;1.96,5.9,;3.29,5.13,;-2.13,-5.26,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585711
PNG
(8-chloro-1-(2,6-dichloro-4- fluorophenyl)-5-(2-(2-...)
Show SMILES Cc1cc(=O)c2c(OCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cc(F)cc1Cl |(11.85,-4.94,;10.52,-4.17,;9.18,-4.94,;7.85,-4.17,;6.51,-4.94,;7.85,-2.63,;6.51,-1.86,;5.18,-2.63,;3.85,-1.86,;2.51,-2.63,;1.18,-1.86,;-.15,-2.63,;-1.49,-1.86,;-2.82,-2.63,;-4.15,-1.86,;-5.49,-2.63,;-6.82,-1.86,;-8.16,-2.63,;-9.49,-1.86,;-10.82,-2.63,;6.51,-.32,;7.85,.45,;9.18,-.32,;10.52,.45,;9.18,-1.86,;10.52,-2.63,;11.85,-1.86,;13.18,-2.63,;13.18,-4.17,;14.52,-1.86,;14.52,-.32,;15.85,.45,;13.18,.45,;11.85,-.32,;11.22,1.09,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585745
PNG
(US11530213, Example 66)
Show SMILES CCc1cc2n(c(C)cc(=O)c2c(OC[C@@H](O)CO)n1)-c1c(Cl)cccc1Cl |r,wU:15.16,(-10.12,9.44,;-8.79,10.21,;-7.45,9.44,;-6.12,10.21,;-4.79,9.44,;-3.45,10.21,;-2.12,9.44,;-.79,10.21,;-2.12,7.9,;-3.45,7.13,;-3.45,5.59,;-4.79,7.9,;-6.12,7.13,;-6.12,5.59,;-7.45,4.82,;-7.45,3.28,;-6.12,2.51,;-8.79,2.51,;-8.79,.97,;-7.45,7.9,;-3.45,11.95,;-2.12,12.72,;-.79,11.95,;-2.12,14.26,;-3.45,15.03,;-4.79,14.26,;-4.79,12.72,;-6.12,11.95,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585714
PNG
(5-((2-(1H-imidazol-4- yl)ethyl)amino)-8-chloro-1-(...)
Show SMILES Cc1cc(=O)c2c(NCCc3c[nH]cn3)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(5.19,2.55,;3.85,1.78,;3.85,.24,;2.52,-.53,;2.52,-2.07,;1.18,.24,;-.15,-.53,;-.15,-2.07,;-1.48,-2.84,;-1.48,-4.38,;-2.82,-5.15,;-4.28,-4.68,;-5.19,-5.92,;-4.28,-7.17,;-2.82,-6.69,;-1.48,.24,;-1.48,1.78,;-.15,2.55,;-.15,4.09,;1.18,1.78,;2.52,2.55,;2.52,4.09,;1.18,4.86,;-.15,5.63,;1.18,6.4,;2.52,7.17,;3.85,6.4,;3.85,4.86,;5.19,4.09,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585691
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- (2-hydroxyethox...)
Show SMILES OCCOc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-5.33,-5,;-4,-4.23,;-2.67,-5,;-1.33,-4.23,;-1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-1.33,.38,;-1.33,1.93,;,-.38,;1.33,.38,;2.67,-.38,;4,.38,;5.33,-.38,;2.67,-1.93,;1.33,-2.69,;1.33,-4.23,;,-1.93,;1.33,1.93,;,2.7,;-1.33,3.47,;,4.24,;1.33,5,;2.67,4.24,;2.67,2.7,;4.21,2.7,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585765
PNG
(US11530213, Example 86)
Show SMILES Cc1cc(=O)c2c(ncc(Cl)c2n1-c1c(Cl)cccc1Cl)C(=O)CO |(3.33,.79,;2,.02,;2,-1.52,;.67,-2.29,;.67,-3.83,;-.67,-1.52,;-2,-2.29,;-3.33,-1.52,;-3.33,.02,;-2,.79,;-2,2.33,;-.67,.02,;.67,.79,;.67,3.06,;2,3.83,;3.33,3.06,;2,5.37,;.67,6.14,;-.67,5.37,;-.67,3.83,;-2,3.06,;-2,-3.83,;-3.33,-4.6,;-.67,-4.6,;-.67,-6.14,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585707
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- (3-hydroxy-2,2-...)
Show SMILES Cc1cc(=O)c2c(OCC(CO)(CO)CO)cnc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;;-1.33,-.77,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-3.85,;,-4.62,;-1.33,-5.39,;-1.33,-6.93,;-4,-5.39,;-4,-6.93,;-2.67,,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;1.33,2.31,;1.33,3.85,;2.67,4.62,;4,3.85,;2.67,6.16,;1.33,6.93,;,6.16,;,4.62,;-1.33,5.39,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585770
PNG
(US11530213, Example 91)
Show SMILES Cc1cc(=O)c2c(OCCO)ncc(Cl)c2n1-c1c(Cl)cc(cc1Cl)C#CCN1CCOCC1 |(2.67,-2.67,;1.33,-3.44,;1.33,-4.98,;,-5.75,;,-7.29,;-1.33,-4.98,;-2.67,-5.75,;-2.67,-7.29,;-1.33,-8.06,;-1.33,-9.6,;,-10.37,;-4,-4.98,;-4,-3.44,;-2.67,-2.67,;-2.67,-1.13,;-1.33,-3.44,;,-2.67,;,-.41,;-1.33,.36,;-2.67,1.13,;-1.33,1.9,;,2.67,;1.33,1.9,;1.33,.36,;2.67,-.41,;,4.21,;,5.75,;,7.29,;1.33,8.06,;2.67,7.29,;4,8.06,;4,9.6,;2.67,10.37,;1.33,9.6,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585730
PNG
(8-chloro-1-(2,6-dichlorophenyl)-2- (hydroxymethyl)...)
Show SMILES CS(=O)(=O)CCNc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-5.21,-6.7,;-4.12,-5.62,;-5.21,-4.53,;-3.03,-6.7,;-2.79,-4.85,;-2.79,-3.31,;-1.46,-2.54,;-1.46,-1,;-2.79,-.23,;-2.79,1.31,;-1.46,2.08,;-1.46,3.62,;-.12,1.31,;1.21,2.08,;2.55,1.31,;3.88,2.08,;5.21,1.31,;2.55,-.23,;1.21,-1,;1.21,-2.54,;-.12,-.23,;1.21,3.62,;-.12,4.39,;-1.46,5.16,;-.12,5.93,;1.21,6.7,;2.55,5.93,;2.55,4.39,;3.88,3.62,)|
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Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585728
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- ((2-hydroxyetho...)
Show SMILES Cc1cc(=O)c2c(NOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,1.84,;2.67,1.07,;2.67,-.47,;1.33,-1.24,;1.33,-2.78,;,-.47,;-1.33,-1.24,;-1.33,-2.78,;-2.67,-3.55,;-2.67,-5.09,;-4,-5.86,;-4,-7.4,;-2.67,-.47,;-2.67,1.07,;-1.33,1.84,;-1.33,3.38,;,1.07,;1.33,1.84,;1.33,4.32,;2.67,5.09,;4,4.32,;2.67,6.63,;1.33,7.4,;,6.63,;,5.09,;-1.33,4.32,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585772
PNG
(US11530213, Example 93)
Show SMILES CN(C)CC#Cc1cc(Cl)c(c(Cl)c1)-n1c(C)cc(=O)c2c(OCC3COC(C)(C)O3)ncc(Cl)c12 |(3.33,9.02,;2,9.79,;2,11.33,;.67,9.02,;.67,7.48,;.67,5.94,;.67,4.4,;-.67,3.63,;-.67,2.09,;-2,2.86,;.67,1.32,;2,2.09,;3.33,1.32,;2,3.63,;.67,-.94,;2,-1.71,;3.33,-.94,;2,-3.25,;.67,-4.02,;.67,-5.56,;-.67,-3.25,;-2,-4.02,;-2,-5.56,;-.67,-6.33,;-.67,-7.87,;-1.76,-8.96,;-.81,-10.29,;.96,-9.84,;2.5,-9.84,;1.36,-11.33,;.71,-8.57,;-3.33,-3.25,;-3.33,-1.71,;-2,-.94,;-2,.6,;-.67,-1.71,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585771
PNG
(US11530213, Example 92)
Show SMILES Cc1cc(=O)c2c(OCCO)ncc(Cl)c2n1-c1c(Cl)cc(cc1Cl)C#CCN1CCS(=O)(=O)CC1 |(2,-3.03,;.67,-3.8,;.67,-5.34,;-.67,-6.11,;-.67,-7.65,;-2,-5.34,;-3.33,-6.11,;-3.33,-7.65,;-2,-8.42,;-2,-9.96,;-.67,-10.73,;-4.67,-5.34,;-4.67,-3.8,;-3.33,-3.03,;-3.33,-1.49,;-2,-3.8,;-.67,-3.03,;-.67,-.77,;-2,0,;-3.33,.77,;-2,1.54,;-.67,2.31,;.67,1.54,;.67,0,;2,-.77,;-.67,3.85,;-.67,5.39,;-.67,6.93,;.67,7.7,;2,6.93,;3.33,7.7,;3.33,9.24,;3.73,10.73,;4.67,8.47,;2,10.01,;.67,9.24,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585693
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- ((14-hydroxy-3,...)
Show SMILES Cc1cc(=O)c2c(NCCOCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(-4.35,-4.11,;-3.02,-3.34,;-3.02,-1.8,;-1.68,-1.03,;-1.68,.51,;-.35,-1.8,;.99,-1.03,;.99,.51,;2.32,1.28,;3.65,.51,;4.99,1.28,;6.32,.51,;7.65,1.28,;8.99,.51,;10.32,1.28,;11.66,.51,;12.99,1.28,;14.32,.51,;15.66,1.28,;16.99,.51,;18.32,1.28,;19.66,.51,;20.99,1.28,;2.32,-1.8,;2.32,-3.34,;.99,-4.11,;.99,-5.65,;-.35,-3.34,;-1.68,-4.11,;-1.68,-5.65,;-3.02,-6.42,;-4.35,-5.65,;-3.02,-7.96,;-1.68,-8.73,;-.35,-7.96,;-.35,-6.42,;1.18,-6.58,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585734
PNG
(3-chloro-2-(8-chloro-2- cyclopropyl-5-(2,3- dihydr...)
Show SMILES OCC(O)COc1ncc(Cl)c2n(c(cc(=O)c12)C1CC1)-c1c(Cl)cccc1C#N |(-.87,-5.39,;-2.21,-6.16,;-3.54,-5.39,;-4.87,-6.16,;-3.54,-3.85,;-2.21,-3.08,;-2.21,-1.54,;-3.54,-.77,;-3.54,.77,;-2.21,1.54,;-2.21,3.08,;-.87,.77,;.46,1.54,;1.79,.77,;1.79,-.77,;.46,-1.54,;.46,-3.08,;-.87,-.77,;3.13,1.54,;4.46,.77,;4.46,2.31,;.46,3.08,;-.87,3.85,;-2.21,4.62,;-.87,5.39,;.46,6.16,;1.79,5.39,;1.84,3.82,;3.18,3.05,;4.97,1.82,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585723
PNG
(3,5-dichloro-4-(8-chloro-5-((2- hydroxyethoxy)amin...)
Show SMILES Cc1cc(=O)c2c(NOCCO)ncc(Cl)c2n1-c1c(Cl)cc(cc1Cl)C#N |(4,.3,;2.67,-.47,;2.67,-2.01,;1.33,-2.78,;1.33,-4.32,;,-2.01,;-1.33,-2.78,;-1.33,-4.32,;-2.67,-5.09,;-2.67,-6.63,;-4,-7.4,;-4,-8.94,;-2.67,-2.01,;-2.67,-.47,;-1.33,.3,;-1.33,1.84,;,-.47,;1.33,.3,;1.33,2.78,;2.67,3.55,;4,2.78,;2.67,5.09,;1.33,5.91,;,5.09,;,3.55,;-1.33,2.78,;1.33,7.45,;1.33,8.99,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585726
PNG
(8-chloro-1-(2,6-dichlorophenyl)-2- methyl-5-((2-me...)
Show SMILES Cc1cc(=O)c2c(Nc3nnn(C)n3)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(5.29,.93,;3.96,.16,;3.96,-1.38,;2.62,-2.15,;2.62,-3.69,;1.29,-1.38,;-.05,-2.15,;-.05,-3.69,;-1.38,-4.46,;-1.38,-6,;-2.84,-6.48,;-3.75,-5.23,;-5.29,-5.23,;-2.84,-3.99,;-1.38,-1.38,;-1.38,.16,;-.05,.93,;-.05,2.47,;1.29,.16,;2.62,.93,;2.62,3.4,;3.96,4.17,;5.29,3.4,;3.96,5.71,;2.62,6.48,;1.29,5.71,;1.29,4.17,;-.05,3.4,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585696
PNG
(3-((8-chloro-1-(2,6- dichlorophenyl)-2-methyl-4-ox...)
Show SMILES Cc1cc(=O)c2c(NCC(O)C(=O)NCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(4,1.72,;2.67,.95,;2.67,-.59,;1.33,-1.36,;1.33,-2.9,;,-.59,;-1.33,-1.36,;-1.33,-2.9,;-2.67,-3.67,;-2.67,-5.21,;-4,-5.98,;-1.33,-5.98,;-1.33,-7.52,;,-5.21,;1.33,-5.98,;2.67,-5.21,;4,-5.98,;-2.67,-.59,;-2.67,.95,;-1.33,1.72,;-1.33,3.26,;,.95,;1.33,1.72,;1.33,4.44,;,5.21,;-1.33,4.44,;,6.75,;1.33,7.52,;2.67,6.75,;2.67,5.21,;4,4.44,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585740
PNG
(US11530213, Example 61)
Show SMILES OCCOc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cc(F)cc1Cl |(-5.33,-5.78,;-4,-5,;-2.67,-5.78,;-1.33,-5,;-1.33,-3.47,;-2.67,-2.69,;-2.67,-1.15,;-1.33,-.38,;-2.67,.38,;,-1.15,;1.33,-.38,;2.67,-1.15,;4,-.38,;5.33,-1.15,;2.67,-2.69,;1.33,-3.47,;1.33,-5,;,-2.69,;1.33,1.15,;,1.93,;-1.54,1.93,;,3.47,;1.33,4.23,;1.33,5.78,;2.67,3.47,;2.67,1.93,;4,1.15,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585753
PNG
(US11530213, Example 74)
Show SMILES OCCCc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-4.67,-6.26,;-3.33,-5.49,;-3.33,-3.95,;-2,-3.18,;-2,-1.64,;-3.33,-.87,;-3.33,.67,;-2,1.44,;-3.49,1.84,;-.67,.67,;.67,1.44,;2,.67,;3.33,1.44,;4.67,.67,;2,-.87,;.67,-1.64,;.67,-3.18,;-.67,-.87,;.67,3.18,;2,3.95,;3.33,3.18,;2,5.49,;.67,6.26,;-.67,5.49,;-.67,3.95,;-2,3.18,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585692
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- ((2-(2-(2-(2-hy...)
Show SMILES OCCOCCOCCOCCNc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(17.43,-1.32,;16.1,-2.09,;14.77,-1.32,;13.43,-2.09,;12.1,-1.32,;10.77,-2.09,;9.43,-1.32,;8.1,-2.09,;6.76,-1.32,;5.43,-2.09,;4.1,-1.32,;2.76,-2.09,;1.43,-1.32,;.1,-2.09,;.1,-3.63,;-1.24,-4.4,;-2.57,-3.63,;-3.9,-4.4,;-2.57,-2.09,;-3.9,-1.32,;-3.9,.22,;-5.24,.99,;-5.24,2.53,;-2.57,.99,;-1.24,.22,;.1,.99,;-1.24,-1.32,;-5.24,-2.09,;-6.57,-1.32,;-6.57,.22,;-7.91,-2.09,;-7.91,-3.63,;-6.57,-4.4,;-5.24,-3.63,;-4.61,-5.04,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585731
PNG
(8-cyclopropyl-1-(2,6- dichlorophenyl)-5-(2,3- dihy...)
Show SMILES Cc1cc(=O)c2c(OCC(O)CO)ncc(C3CC3)c2n1-c1c(Cl)cccc1Cl |(4,1.13,;2.67,.36,;2.67,-1.18,;1.33,-1.95,;1.33,-3.49,;,-1.18,;-1.33,-1.95,;-1.33,-3.49,;-2.67,-4.26,;-2.67,-5.8,;-4,-6.57,;-1.33,-6.57,;-1.73,-8.06,;-2.67,-1.18,;-2.67,.36,;-1.33,1.13,;-1.33,2.67,;-.56,4,;-2.1,4,;,.36,;1.33,1.13,;1.33,4.98,;,5.75,;-1.33,4.98,;,7.29,;1.33,8.06,;2.67,7.29,;2.67,5.75,;4,4.98,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585690
PNG
(8-chloro-1-(2,6-dichlorophenyl)-2- (hydroxymethyl)...)
Show SMILES COCCOCCOc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-5.36,-8.74,;-4.27,-7.65,;-4.67,-6.16,;-3.58,-5.07,;-3.98,-3.58,;-2.64,-2.81,;-2.64,-1.27,;-1.31,-.5,;-1.31,1.04,;-2.64,1.81,;-2.64,3.35,;-1.31,4.12,;-1.31,5.66,;.02,3.35,;1.36,4.12,;2.69,3.35,;4.02,4.12,;5.36,3.35,;2.69,1.81,;1.36,1.04,;1.36,-.5,;.02,1.81,;1.36,5.66,;.02,6.43,;-1.31,7.2,;.02,7.97,;1.36,8.74,;2.69,7.97,;2.69,6.43,;4.02,5.66,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585698
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- ((17-hydroxy-3,...)
Show SMILES Cc1cc(=O)c2c(OCCOCCOCCOCCOCCOCCO)ncc(Cl)c2n1-c1c(Cl)cccc1Cl |(-2.95,.53,;-1.62,-.24,;-.28,.53,;1.05,-.24,;2.38,.53,;1.05,-1.78,;2.38,-2.55,;3.72,-1.78,;5.05,-2.55,;6.39,-1.78,;7.72,-2.55,;9.05,-1.78,;10.39,-2.55,;11.72,-1.78,;13.05,-2.55,;14.39,-1.78,;15.72,-2.55,;17.06,-1.78,;18.39,-2.55,;19.72,-1.78,;21.06,-2.55,;22.39,-1.78,;23.72,-2.55,;25.06,-1.78,;26.39,-2.55,;27.72,-1.78,;2.38,-4.09,;1.05,-4.86,;-.28,-4.09,;-1.62,-4.86,;-.28,-2.55,;-1.62,-1.78,;-2.95,-2.55,;-4.28,-1.78,;-4.28,-.24,;-5.62,-2.55,;-5.62,-4.09,;-4.28,-4.86,;-2.95,-4.09,;-2.32,-5.5,)|
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Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585685
PNG
(N-(2-((8-chloro-1-(2,6- dichlorophenyl)-2- (hydrox...)
Show SMILES CS(=O)(=O)NCCOc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |(-3.9,-7.72,;-3.9,-6.18,;-5.44,-6.18,;-2.36,-6.18,;-3.9,-4.64,;-2.56,-3.87,;-2.56,-2.33,;-1.23,-1.56,;-1.23,-.02,;-2.56,.75,;-2.56,2.29,;-1.23,3.06,;-1.23,4.6,;.1,2.29,;1.44,3.06,;2.77,2.29,;4.1,3.06,;5.44,2.29,;2.77,.75,;1.44,-.02,;1.44,-1.56,;.1,.75,;1.44,4.64,;.1,5.41,;-1.23,6.18,;.1,6.95,;1.44,7.72,;2.77,6.95,;2.77,5.41,;4.1,4.64,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585712
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- ((3R,4S)-3,4-di...)
Show SMILES Cc1cc(=O)c2c(ncc(Cl)c2n1-c1c(Cl)cccc1Cl)N1C[C@H](O)[C@H](O)C1 |r,wD:25.28,23.26,(3.44,1.32,;2.1,.55,;2.1,-.99,;.77,-1.76,;.77,-3.3,;-.56,-.99,;-1.9,-1.76,;-3.23,-.99,;-3.23,.55,;-1.9,1.32,;-1.9,2.86,;-.56,.55,;.77,1.32,;.77,3.92,;-.56,4.69,;-1.9,3.92,;-.56,6.23,;.77,7,;2.1,6.23,;2.1,4.69,;3.44,3.92,;-1.9,-3.3,;-.65,-4.2,;-1.13,-5.67,;-.36,-7,;-2.67,-5.67,;-3.44,-7,;-3.14,-4.2,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585710
PNG
(8-chloro-1-(2,6-dichlorophenyl)-5- ((2R,4S)-4-hydr...)
Show SMILES Cc1cc(=O)c2c(cnc(Cl)c2n1-c1c(Cl)cccc1Cl)N1C[C@@H](O)C[C@@H]1CO |r,wU:23.26,wD:26.30,(4.62,1.32,;3.29,.55,;3.29,-.99,;1.96,-1.76,;1.96,-3.3,;.62,-.99,;-.71,-1.76,;-2.04,-.99,;-2.04,.55,;-.71,1.32,;-.71,2.86,;.62,.55,;1.96,1.32,;1.96,3.92,;.62,4.69,;-.71,3.92,;.62,6.23,;1.96,7,;3.29,6.23,;3.29,4.69,;4.62,3.92,;-.71,-3.3,;.54,-4.2,;.06,-5.67,;.83,-7,;-1.48,-5.67,;-1.96,-4.2,;-3.29,-3.43,;-4.62,-4.2,)|
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TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM585681
PNG
((R)-8-chloro-1-(2,6- dichlorophenyl)-5-(2,3- dihyd...)
Show SMILES OC[C@@H](O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wD:2.2,(-3.78,-7.53,;-4.55,-6.2,;-3.46,-5.11,;-2.12,-5.88,;-3.46,-3.57,;-2.12,-2.8,;-2.12,-1.26,;-3.46,-.49,;-3.46,1.05,;-2.12,1.82,;-2.12,3.36,;-.79,1.05,;.54,1.82,;1.88,1.05,;3.21,1.82,;4.55,1.05,;1.88,-.49,;.54,-1.26,;.54,-2.8,;-.79,-.49,;.54,4.45,;-.79,5.22,;-2.12,4.45,;-.79,6.76,;.54,7.53,;1.88,6.76,;1.88,5.22,;3.21,4.45,)|
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Citation and Details
More data for this
Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1/4


(Homo sapiens (Human))
BDBM585680
PNG
(US11530213, Example 1)
Show SMILES OC[C@H](O)COc1ncc(Cl)c2n(c(CO)cc(=O)c12)-c1c(Cl)cccc1Cl |r,wU:2.2,(-4.27,-7.27,;-4.67,-5.78,;-3.33,-5.01,;-2.25,-6.1,;-3.33,-3.47,;-2,-2.7,;-2,-1.16,;-3.33,-.39,;-3.33,1.15,;-2,1.92,;-2,3.46,;-.67,1.15,;.67,1.92,;2,1.15,;3.33,1.92,;4.67,1.15,;2,-.39,;.67,-1.16,;.67,-2.7,;-.67,-.39,;.67,4.19,;-.67,4.96,;-2,4.19,;-.67,6.5,;.67,7.27,;2,6.5,;2,4.96,;3.33,4.19,)|
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antibodypedia
antibodypedia
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n/an/a 104n/an/an/an/an/an/a


TBA

Assay Description
Quattro is controlled using IonWorks v2 software to perform the following steps:a. Add 3.5 ul cells plus 3.5 ul external buffer to wells of Quattro P...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K64NXF
More data for this
Ligand-Target Pair
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