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Compile Data Set for Download or QSAR

Found 801 hits Enz. Inhib. hit(s) with all data for entry = 11639   
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
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM635953
PNG
((1R,2S)-2-(3-((5-chloro-6-(1,1-dioxidothiomorpholi...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CCS(=O)(=O)CC6)c5Cl)C(C)C)n[nH]c4c3)c2c1
PDB
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UniChem
n/an/a 0.350n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM635903
PNG
((1R,2S)-2-(3-{[(3S)-3-hydroxy-2,3-dihydro-1-benzof...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cccc6[C@H](O)COc56)n[nH]c4c3)c2c1
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n/an/a 0.375n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM635951
PNG
((1R,2S)-2-(3-{[5-chloro-2-cyclopropyl-6-(3-hydroxy...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CC(O)C6)c5Cl)C5CC5)n[nH]c4c3)c2c1
PDB
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n/an/a 0.434n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073587
PNG
(CHEMBL3408947 | US10358436, Example A185 | US20230...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r|
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Similars

n/an/a 0.496n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636141
PNG
(5-methoxy-6-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-d...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N(C)C5(C)COC5)n[nH]c4c3)c2c1
PDB
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n/an/a 0.564n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636146
PNG
(5-ethoxy-6-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-di...)
Show SMILES CCOc1cc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(=O)(=O)NC
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636134
PNG
((1R,2S)-2-(3-{[5-(azetidine-1-carbonyl)-3-methoxyp...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)C(=O)N5CCC5)n[nH]c4c3)c2c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636127
PNG
((1R,2S)-5'-methoxy-2-(3-{[3-methoxy-5-(8-oxa-3-aza...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N5CC6CCC(C5)O6)n[nH]c4c3)c2c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM635884
PNG
((1R,2S)-2-(3-{[5-chloro-6-(morpholin-4-yl)pyrimidi...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CCOCC6)c5Cl)n[nH]c4c3)c2c1
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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636070
PNG
((1R,2S)-5'-methoxy-2-{3-[2-methoxy-4-(morpholine-4...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(cc5OC)C(=O)N5CCOCC5)n[nH]c4c3)c2c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636116
PNG
((1R,2S)-2-[3-({6-[(2R,6S)-2,6-dimethylpiperidine-1...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N5[C@@H](C)CCC[C@H]5C)n[nH]c4c3)c2c1
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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636145
PNG
((1R,2S)-2-(3-{[5-(ethanesulfonyl)-3-ethoxypyridin-...)
Show SMILES CCOc1cc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(=O)(=O)CC
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636135
PNG
((1R,2S)-5'-methoxy-2-(3-{[3-methoxy-5-(morpholine-...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)C(=O)N5CCOCC5)n[nH]c4c3)c2c1
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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636037
PNG
(6-methoxy-5-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-d...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1
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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636149
PNG
((1R,2S)-2-(3-{[6-(2-hydroxypropan-2-yl)-3-methoxyp...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ccc5OC)C(C)(C)O)n[nH]c4c3)c2c1
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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636077
PNG
(2-fluoro-5-methoxy-4-({6-[(1R,2S)-5'-methoxy-2'-ox...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(F)c(cc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1
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n/an/a 0.806n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636075
PNG
(5-methoxy-6-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-d...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N(C)C)n[nH]c4c3)c2c1
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n/an/a 0.810n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM635997
PNG
((1R,2S)-5'-methoxy-2-(3-{[5-methoxy-2-(propan-2-yl...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)C(C)C)n[nH]c4c3)c2c1
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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636143
PNG
((1R,2S)-2-{3-[2-ethoxy-4-(methanesulfonyl)anilino]...)
Show SMILES CCOc1cc(ccc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(C)(=O)=O
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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636117
PNG
((1R,2S)-5'-methoxy-2-(3-{[2-methoxy-6-(8-oxa-3-aza...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N5CC6CCC(C5)O6)n[nH]c4c3)c2c1 |TLB:26:28:35:31.32|
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n/an/a 0.843n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636139
PNG
((1R,2S)-2-(3-{[5-(azetidine-1-sulfonyl)-3-methoxyp...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N5CCC5)n[nH]c4c3)c2c1
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n/an/a 0.874n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636140
PNG
(5-methoxy-6-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-d...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)NC5(C)COC5)n[nH]c4c3)c2c1
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n/an/a 0.890n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636079
PNG
((1R,2S)-2-{3-[5-fluoro-2-methoxy-4-(morpholine-4-c...)
Show SMILES CCOc1cc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)S(C)(=O)=O
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636078
PNG
((1R,2S)-2-{3-[5-fluoro-2-methoxy-4-(morpholine-4-c...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5cc(F)c(cc5OC)C(=O)N5CCOCC5)n[nH]c4c3)c2c1
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n/an/a 0.952n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636089
PNG
(N,6-dimethoxy-5-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',...)
Show SMILES CON(C)C(=O)c1ccc(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)c(OC)n1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636065
PNG
(6-methoxy-5-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-d...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N(C)C(C)C)n[nH]c4c3)c2c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636130
PNG
((1R,2S)-5'-methoxy-2-(3-{[3-methoxy-5-(oxane-4-sul...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)C5CCOCC5)n[nH]c4c3)c2c1
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n/an/a 0.971n/an/an/an/an/an/a


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Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636026
PNG
((1R,2S)-5'-methoxy-2-(3-{[5-methoxy-2-(oxan-4-yl)p...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)C5CCOCC5)n[nH]c4c3)c2c1
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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636040
PNG
((1R,2S)-2-[3-({2-[(3R)-3-fluoropyrrolidin-1-yl]-5-...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CC[C@@H](F)C5)n[nH]c4c3)c2c1
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n/an/a 0.995n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM635947
PNG
((1R,2S)-2-(3-{[5-chloro-6-(3-hydroxyazetidin-1-yl)...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(C)nc(N6CC(O)C6)c5Cl)n[nH]c4c3)c2c1
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n/an/a 0.997n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636085
PNG
(6-ethoxy-5-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-di...)
Show SMILES CCOc1nc(ccc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)C(=O)N(C)C
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Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636027
PNG
((1R,2S)-5'-methoxy-2-(3-{[5-methoxy-2-(methylsulfa...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(SC)ncc5OC)n[nH]c4c3)c2c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636103
PNG
((1R,2S)-5'-methoxy-2-(3-{[2-methoxy-6-(3-oxa-8-aza...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N5C6CCC5COC6)n[nH]c4c3)c2c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636060
PNG
((1R,2S)-2-(3-{[2-(4,4-difluoropiperidin-1-yl)-5-me...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CCC(F)(F)CC5)n[nH]c4c3)c2c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636074
PNG
(5-ethoxy-6-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-di...)
Show SMILES CCOc1cc(cnc1Nc1n[nH]c2cc(ccc12)[C@@H]1C[C@@]11C(=O)Nc2ccc(OC)cc12)C(=O)N(C)C
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636068
PNG
(5-methoxy-6-({6-[(1R,2S)-5'-methoxy-2'-oxo-1',2'-d...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)C(=O)N(C)C)n[nH]c4c3)c2c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM635945
PNG
((1R,2S)-2-(3-((5-chloro-2-cyclopropyl-6-(1,1-dioxi...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CCS(=O)(=O)CC6)c5Cl)C5CC5)n[nH]c4c3)c2c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636064
PNG
((1R,2S)-2-(3-{[5-(methanesulfonyl)-3-methoxypyridi...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(C)(=O)=O)n[nH]c4c3)c2c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM635972
PNG
((1R,2S)-5'-methoxy-2-(3-{[5-methoxy-2-(morpholin-4...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CCOCC5)n[nH]c4c3)c2c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636114
PNG
(N,N-dicyclopropyl-6-methoxy-5-({6-[(1R,2S)-5'-meth...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N(C5CC5)C5CC5)n[nH]c4c3)c2c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636126
PNG
((1R,2S)-5'-methoxy-2-(3-{[3-methoxy-5-(morpholine-...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)N5CCOCC5)n[nH]c4c3)c2c1
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n/an/a 1.16n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636038
PNG
((1R,2S)-5'-methoxy-2-(3-{[5-methoxy-2-(pyrrolidin-...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(ncc5OC)N5CCCC5)n[nH]c4c3)c2c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636088
PNG
((1R,2S)-5'-methoxy-2-{3-[(3-methoxy-1,5-naphthyrid...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc6cccnc6cc5OC)n[nH]c4c3)c2c1
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n/an/a 1.19n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM635926
PNG
((1R,2S)-2-(3-{[2-cyclopropyl-5-methoxy-6-(morpholi...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc(N6CCOCC6)c5OC)C5CC5)n[nH]c4c3)c2c1
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n/an/a 1.23n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636119
PNG
((1R,2S)-5'-methoxy-2-(3-{[3-methoxy-5-(propane-2-s...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(cc5OC)S(=O)(=O)C(C)C)n[nH]c4c3)c2c1
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n/an/a 1.24n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM635930
PNG
((1R,2S)-2-(3-{[5-(2-hydroxyethyl)-3-methoxypyrazin...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncc(CCO)nc5OC)n[nH]c4c3)c2c1
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n/an/a 1.25n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM635928
PNG
((1R,2S)-2-(3-((5-chloro-6-(1,1-dioxidothiomorpholi...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ncnc(N6CCS(=O)(=O)CC6)c5Cl)n[nH]c4c3)c2c1
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n/an/a 1.25n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM636054
PNG
((1R,2S)-5'-methoxy-2-(3-{[2-methoxy-6-(morpholine-...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5ccc(nc5OC)C(=O)N5CCOCC5)n[nH]c4c3)c2c1
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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM635959
PNG
((1R,2S)-2-(3-((6-(1,1-dioxidothiomorpholino)-2-iso...)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(Nc5nc(nc6N7CCS(=O)(=O)CC7COc56)C(C)C)n[nH]c4c3)c2c1
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n/an/a 1.28n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM635922
PNG
((1R,2S)-2-(3-{[5-chloro-6-(3-methoxyazetidin-1-yl)...)
Show SMILES COC1CN(C1)c1ncnc(Nc2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccc(OC)cc23)c1Cl
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n/an/a 1.30n/an/an/an/an/an/a


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Ligand-Target Pair
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