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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 1908   
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 4


(Homo sapiens (Human))
BDBM347063
PNG
(US10202390, Example 18)
Show SMILES CCCn1cc(nn1)-c1cnc(cc1NC1CC1)-c1cnc2cc(cnn12)C#N
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US Patent US10202390 (2019)

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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347074
PNG
(US10202390, Example 29)
Show SMILES CC(C)(O)CCc1cc(n[nH]1)-c1cnc(cc1NC1CCOCC1)-c1cnn2cc(cnc12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347061
PNG
(3-(4-(isopropylamino)-5-(1-(tetrahydro-2H-pyran-4-...)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)C1CCOCC1)-c1cnc2cc(cnn12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347062
PNG
(US10202390, Example 17)
Show SMILES CC(C)Nc1cc(ncc1-c1cn(nn1)C1CN(C1)C(C)=O)-c1cnc2cc(cnn12)C#N
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US Patent US10202390 (2019)

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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347058
PNG
(US10202390, Example 13)
Show SMILES CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)O)nn1)-c1cnn2cc(Cl)cnc12
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347072
PNG
(3-(5-(1-(3-hydroxy-3-methylbutyl)-1H-pyrazol-4-yl)...)
Show SMILES CC(C)Nc1cc(ncc1-c1cnn(CCC(C)(C)O)c1)-c1cnc2cc(cnn12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347064
PNG
(US10202390, Example 19)
Show SMILES CCCn1cc(nn1)-c1cnc(cc1NC1CC1)-c1cnc2cc(Cl)cnn12
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347067
PNG
(US10202390, Example 22)
Show SMILES CC(C)Nc1cc(ncc1-n1cc(CCC(C)(C)O)nn1)-c1cnc2cc(cnn12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347070
PNG
(US10202390, Example 25)
Show SMILES CC(C)(O)CCc1cn(nn1)-c1cnc(cc1N[C@H]1CC[C@H](F)C1)-c1cnn2cc(cnc12)C#N |r|
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347073
PNG
(US10202390, Example 28)
Show SMILES CC(C)Nc1cc(ncc1-c1cc([nH]n1)C1CCOCC1)-c1cnc2cc(cnn12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347060
PNG
(3-(4-(isopropylamino)-5-(4-propyl-1H-1,2,3-triazol...)
Show SMILES CCCc1cn(nn1)-c1cnc(cc1NC(C)C)-c1cnc2cc(cnn12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347056
PNG
(2-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-isopro...)
Show SMILES CCCc1cn(nn1)-c1cnc(cc1NC(C)C)-c1cnn2cc(Cl)cnc12
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347068
PNG
(US10202390, Example 23)
Show SMILES CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1CCOCC1)-c1cnn2cc(Cl)cnc12
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347059
PNG
(US10202390, Example 14)
Show SMILES CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1COC1)-c1cnn2cc(Cl)cnc12
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347057
PNG
(US10202390, Example 12)
Show SMILES CCCc1cn(nn1)-c1cnc(cc1NC(C)C)-c1cnn2cc(cnc12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347071
PNG
(US10202390, Example 26)
Show SMILES CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1COC1)-c1cnn2cc(cnc12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347065
PNG
(US10202390, Example 20)
Show SMILES CCCn1cc(nn1)-c1cnc(cc1NC(C)C)-c1cnc2cc(Cl)cnn12
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347069
PNG
(US10202390, Example 24)
Show SMILES CC(C)(O)CCc1cn(nn1)-c1cnc(cc1NC1CC(F)(F)C1)-c1cnn2cc(cnc12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347066
PNG
(US10202390, Example 21)
Show SMILES COC(=O)N1CCC(n2cc(nn2)-c2cnc(cc2NC2CC2)-c2cnc3cc(Cl)cnn23)[C@](C)(O)C1 |r|
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347048
PNG
(US10202390, Example 3)
Show SMILES CC(C)Nc1cc(ncc1-c1cnn(c1)C1CCOCC1)-c1cnc2cc(cnn12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347051
PNG
(US10202390, Example 6)
Show SMILES CCCn1cc(cn1)-c1cnc(cc1NC(C)C)-c1cnc2cc(cnn12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347055
PNG
(US10202390, Example 10)
Show SMILES CCCn1cc(cn1)-c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnc2cc(cnn12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347054
PNG
(US10202390, Example 9)
Show SMILES CCCn1cc(cn1)-c1cnc(cc1Nc1cnn(CC(F)F)c1)-c1cnc2cc(Cl)cnn12
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347052
PNG
(US10202390, Example 7 | US10202390, Example 8)
Show SMILES CC(C)Nc1cc(ncc1-c1cnn(CC(F)(F)F)c1)-c1cnc2cc(cnn12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347052
PNG
(US10202390, Example 7 | US10202390, Example 8)
Show SMILES CC(C)Nc1cc(ncc1-c1cnn(CC(F)(F)F)c1)-c1cnc2cc(cnn12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347047
PNG
(2-(7-chloroimidazo[1,2-b]pyridazin-3-yl)-N-isoprop...)
Show SMILES CC(C)Nc1cc(ncc1-c1cnn(c1)C1CCOCC1)-c1cnc2cc(Cl)cnn12
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347050
PNG
(US10202390, Example 5)
Show SMILES CC(C)Nc1cc(ncc1-c1cnn(CC(C)(C)O)c1)-c1cnc2cc(cnn12)C#N
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347049
PNG
(US10202390, Example 4)
Show SMILES CC(C)Nc1cc(ncc1-c1cnn(CC(C)(C)O)c1)-c1cnc2cc(Cl)cnn12
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Ligand-Target Pair
G protein-activated inward rectifier potassium channel 4


(Homo sapiens (Human))
BDBM347046
PNG
(3-(5-(4-(2-hydroxypropan-2-yl)-1H-pyrazol-1-yl)-4-...)
Show SMILES CC(C)Nc1cc(ncc1-n1cc(cn1)C(C)(C)O)-c1cnn2cc(cnc12)C#N
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Ligand-Target Pair