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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50016512   
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 PLK1


(Homo sapiens (Human))
BDBM50595395
PNG
(CHEMBL5179633)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1C[C@H](CCCCCCCCc2ccccc2)C(=O)NCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595392
PNG
(CHEMBL5185686)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(C)=O)OCCCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50240826
PNG
(AZD-1775 | MK-1775 | US11124518, Example AZD1775 |...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595394
PNG
(CHEMBL5196402)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cn(CCCCCCCCc2ccccc2)nn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50403016
PNG
(CHEMBL2207845)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
Show InChI InChI=1S/C40H63N8O11P/c1-26(2)21-31(44-40(55)34-18-14-20-48(34)28(4)50)37(52)43-32(38(53)45-33(24-49)39(54)46-35(36(41)51)27(3)59-60(56,57)58)22-30-23-42-25-47(30)19-13-8-6-5-7-10-15-29-16-11-9-12-17-29/h9,11-12,16-17,23,25-27,31-35,49H,5-8,10,13-15,18-22,24H2,1-4H3,(H2,41,51)(H,43,52)(H,44,55)(H,45,53)(H,46,54)(H2,56,57,58)/t27-,31+,32+,33+,34+,35+/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50240826
PNG
(AZD-1775 | MK-1775 | US11124518, Example AZD1775 |...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595393
PNG
(CHEMBL5170038)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCc1cn(Cc2ccc(Oc3ccccc3)cc2F)nn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595391
PNG
(CHEMBL5194102)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(C)=O)O\N=C\CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50403016
PNG
(CHEMBL2207845)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
Show InChI InChI=1S/C40H63N8O11P/c1-26(2)21-31(44-40(55)34-18-14-20-48(34)28(4)50)37(52)43-32(38(53)45-33(24-49)39(54)46-35(36(41)51)27(3)59-60(56,57)58)22-30-23-42-25-47(30)19-13-8-6-5-7-10-15-29-16-11-9-12-17-29/h9,11-12,16-17,23,25-27,31-35,49H,5-8,10,13-15,18-22,24H2,1-4H3,(H2,41,51)(H,43,52)(H,44,55)(H,45,53)(H,46,54)(H2,56,57,58)/t27-,31+,32+,33+,34+,35+/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50595394
PNG
(CHEMBL5196402)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cn(CCCCCCCCc2ccccc2)nn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50595395
PNG
(CHEMBL5179633)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1C[C@H](CCCCCCCCc2ccccc2)C(=O)NCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548886
PNG
(CHEMBL4755597 | US20230365568, Compound 65)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCC(F)(F)F)c1n[nH]c(=S)n21
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548834
PNG
(CHEMBL4786053 | US20230365568, Compound 79)
Show SMILES Fc1ccc2c(c1)c(=O)n(CC1CC1)c1n[nH]c(=S)n21
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548903
PNG
(CHEMBL4755098 | US20230365568, Compound 83)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCc1ccccn1)c1n[nH]c(=S)n21
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548905
PNG
(CHEMBL4755584 | US20230365568, Compound 85)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCc1ccncc1)c1n[nH]c(=S)n21
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548949
PNG
(CHEMBL4782750 | US20230365568, Compound 129)
Show SMILES COc1cccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50595395
PNG
(CHEMBL5179633)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@H]1C[C@H](CCCCCCCCc2ccccc2)C(=O)NCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548954
PNG
(CHEMBL4779347 | US20230365568, Compound 134)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccc(cc1)C#N)c1n[nH]c(=S)n21
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595389
PNG
(CHEMBL5172400)
Show SMILES Cc1ccc(NC(=S)NCCNc2nccc(n2)C(F)(F)F)c(C)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50403016
PNG
(CHEMBL2207845)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
Show InChI InChI=1S/C40H63N8O11P/c1-26(2)21-31(44-40(55)34-18-14-20-48(34)28(4)50)37(52)43-32(38(53)45-33(24-49)39(54)46-35(36(41)51)27(3)59-60(56,57)58)22-30-23-42-25-47(30)19-13-8-6-5-7-10-15-29-16-11-9-12-17-29/h9,11-12,16-17,23,25-27,31-35,49H,5-8,10,13-15,18-22,24H2,1-4H3,(H2,41,51)(H,43,52)(H,44,55)(H,45,53)(H,46,54)(H2,56,57,58)/t27-,31+,32+,33+,34+,35+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595397
PNG
(CHEMBL4467651)
Show SMILES CC1=C\C(=N\OC(=O)c2ccccc2C)C(C)=CC1=O |c:17,t:1|
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n/an/a 1.36E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595402
PNG
(CHEMBL5177415)
Show SMILES [I-].COc1c2OCOc2cc2CC[N+](C)(C)C(CC(=O)c3ccccn3)c12
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50595394
PNG
(CHEMBL5196402)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cn(CCCCCCCCc2ccccc2)nn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
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n/an/a 3.40E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50242173
PNG
((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Show SMILES O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
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n/an/a 3.61E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595390
PNG
(CHEMBL5173743)
Show SMILES C[C@H](OP(O)(O)=O)[C@H](NC(=O)c1ccc2n(CCc3ccccc3)c(CCCCc3ccccc3)nc2c1)C(N)=O |r|
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n/an/a 4.50E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50206448
PNG
(CHEMBL3944542)
Show SMILES CC(C)C1=C\C(=N\OC(=O)c2ccccc2C)C(C)=CC1=O |c:19,t:3|
Show InChI InChI=1S/C18H19NO3/c1-11(2)15-10-16(13(4)9-17(15)20)19-22-18(21)14-8-6-5-7-12(14)3/h5-11H,1-4H3/b19-16-
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n/an/a 4.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50595393
PNG
(CHEMBL5170038)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCc1cn(Cc2ccc(Oc3ccccc3)cc2F)nn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
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n/an/a 5.90E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595386
PNG
((2S)-Dihydrobaicalein | CHEMBL402227)
Show SMILES Oc1cc2O[C@@H](CC(=O)c2c(O)c1O)c1ccccc1 |r|
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n/an/a 6.30E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 9.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50595393
PNG
(CHEMBL5170038)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCc1cn(Cc2ccc(Oc3ccccc3)cc2F)nn1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
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n/an/a 9.90E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595385
PNG
(Moslosooflavone)
Show SMILES COc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1OC
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n/an/a 1.02E+4n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595398
PNG
(CHEMBL5197718)
Show SMILES CC1=C\C(=N\OC(=O)c2ccc(CNC(=O)CCc3cn(CCCCCCOCCOCCNC(=O)CC45CC6CC(CC(C6)C4)C5)nn3)cc2C)C(C)=CC1=O |c:58,t:1,TLB:44:39:46:43.45.42,44:43:46:40.39.38,36:37:40.39.44:42,THB:38:39:45.37.46:42,38:37:40.39.44:42|
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n/an/a 1.05E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50595397
PNG
(CHEMBL4467651)
Show SMILES CC1=C\C(=N\OC(=O)c2ccccc2C)C(C)=CC1=O |c:17,t:1|
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n/an/a 1.42E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595396
PNG
(CHEMBL5196864)
Show SMILES [H][C@@]12CN(Cc3cccc(c3)C#N)C[C@@]([H])(C1)c1c(ccc(=O)n1C2)-c1ccc2ccccc2c1 |r|
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n/an/a 1.79E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50206448
PNG
(CHEMBL3944542)
Show SMILES CC(C)C1=C\C(=N\OC(=O)c2ccccc2C)C(C)=CC1=O |c:19,t:3|
Show InChI InChI=1S/C18H19NO3/c1-11(2)15-10-16(13(4)9-17(15)20)19-22-18(21)14-8-6-5-7-12(14)3/h5-11H,1-4H3/b19-16-
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n/an/a 1.87E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595388
PNG
(CHEMBL5202429)
Show SMILES Cc1onc(c1\C=C1/C(=O)Nc2ccccc12)-c1ccccc1
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n/an/a 2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50403017
PNG
(CHEMBL2207846)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O |r|
Show InChI InChI=1S/C26H43N8O11P/c1-13(2)8-17(31-26(41)20-6-5-7-34(20)15(4)36)23(38)30-18(9-16-10-28-12-29-16)24(39)32-19(11-35)25(40)33-21(22(27)37)14(3)45-46(42,43)44/h10,12-14,17-21,35H,5-9,11H2,1-4H3,(H2,27,37)(H,28,29)(H,30,38)(H,31,41)(H,32,39)(H,33,40)(H2,42,43,44)/t14-,17+,18+,19+,20+,21+/m1/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 4.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595399
PNG
(CHEMBL5202954)
Show SMILES C[C@H](CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCOCCOCCCCCCn1cc(CCC(=O)NCc2ccc(C(=O)O\N=C3\C=C(C)C(=O)C=C3C)c(C)c2)nn1 |r,c:55,t:50,TLB:13:4:11:8.7.9,THB:13:8:11:12.4.5,9:8:11.10.12:5,9:10:8.7.13:5|
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n/an/a 4.82E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50595398
PNG
(CHEMBL5197718)
Show SMILES CC1=C\C(=N\OC(=O)c2ccc(CNC(=O)CCc3cn(CCCCCCOCCOCCNC(=O)CC45CC6CC(CC(C6)C4)C5)nn3)cc2C)C(C)=CC1=O |c:58,t:1,TLB:44:39:46:43.45.42,44:43:46:40.39.38,36:37:40.39.44:42,THB:38:39:45.37.46:42,38:37:40.39.44:42|
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n/an/a 5.19E+4n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50206448
PNG
(CHEMBL3944542)
Show SMILES CC(C)C1=C\C(=N\OC(=O)c2ccccc2C)C(C)=CC1=O |c:19,t:3|
Show InChI InChI=1S/C18H19NO3/c1-11(2)15-10-16(13(4)9-17(15)20)19-22-18(21)14-8-6-5-7-12(14)3/h5-11H,1-4H3/b19-16-
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n/an/a 5.39E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50595399
PNG
(CHEMBL5202954)
Show SMILES C[C@H](CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCOCCOCCCCCCn1cc(CCC(=O)NCc2ccc(C(=O)O\N=C3\C=C(C)C(=O)C=C3C)c(C)c2)nn1 |r,c:55,t:50,TLB:13:4:11:8.7.9,THB:13:8:11:12.4.5,9:8:11.10.12:5,9:10:8.7.13:5|
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n/an/a 5.48E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595400
PNG
(CHEMBL5185032)
Show SMILES CCCCCCCCCC1=CO[C@]2(C[C@H](C(O)=O)[C@](CC(O)=O)(O2)C(=O)OCCCC)C1=O |r,t:9|
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n/an/a 1.02E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50595401
PNG
(CHEMBL5175115)
Show SMILES CCCCCCCCCC1=CO[C@]2(C[C@H](C(O)=O)[C@](CC(O)=O)(O2)C(O)=O)C1=O |r,t:9|
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n/an/a 1.28E+5n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50595386
PNG
((2S)-Dihydrobaicalein | CHEMBL402227)
Show SMILES Oc1cc2O[C@@H](CC(=O)c2c(O)c1O)c1ccccc1 |r|
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Article
PubMed
n/an/a 2.42E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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MCE
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 3.14E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50595385
PNG
(Moslosooflavone)
Show SMILES COc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1OC
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.52E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50595386
PNG
((2S)-Dihydrobaicalein | CHEMBL402227)
Show SMILES Oc1cc2O[C@@H](CC(=O)c2c(O)c1O)c1ccccc1 |r|
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00614
BindingDB Entry DOI: 10.7270/Q2Z89HD2
More data for this
Ligand-Target Pair
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