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Compile Data Set for Download or QSAR

Found 140 hits Enz. Inhib. hit(s) with all data for entry = 11645   
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))
BDBM50548886
PNG
(CHEMBL4755597 | US20230365568, Compound 65)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCC(F)(F)F)c1n[nH]c(=S)n21
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
n/an/a 750n/an/an/an/an/an/a


TBA



Citation and Details
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
PDB
MMDB

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UniChem
n/an/a 770n/an/an/an/an/an/a


TBA



Citation and Details
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
PDB
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UniChem
n/an/a 870n/an/an/an/an/an/a


TBA



Citation and Details
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
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
n/an/a 890n/an/an/an/an/an/a


TBA



Citation and Details
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
PDB
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UniChem
n/an/a 960n/an/an/an/an/an/a


TBA



Citation and Details
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
PDB
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n/an/a 990n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM59063
PNG
(4-butyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]q...)
Show SMILES CCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
Show InChI InChI=1S/C13H14N4OS/c1-2-3-8-16-11(18)9-6-4-5-7-10(9)17-12(16)14-15-13(17)19/h4-7H,2-3,8H2,1H3,(H,15,19)
PDB
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n/an/a 1.03E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM60899
PNG
(4-propyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]...)
Show SMILES CCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
Show InChI InChI=1S/C12H12N4OS/c1-2-7-15-10(17)8-5-3-4-6-9(8)16-11(15)13-14-12(16)18/h3-6H,2,7H2,1H3,(H,14,18)
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n/an/a 1.03E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM60899
PNG
(4-propyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]...)
Show SMILES CCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
Show InChI InChI=1S/C12H12N4OS/c1-2-7-15-10(17)8-5-3-4-6-9(8)16-11(15)13-14-12(16)18/h3-6H,2,7H2,1H3,(H,14,18)
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n/an/a 1.03E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM60899
PNG
(4-propyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]...)
Show SMILES CCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
Show InChI InChI=1S/C12H12N4OS/c1-2-7-15-10(17)8-5-3-4-6-9(8)16-11(15)13-14-12(16)18/h3-6H,2,7H2,1H3,(H,14,18)
PDB
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n/an/a 1.03E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548950
PNG
(CHEMBL4745902 | US20230365568, Compound 130)
Show SMILES COc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1
PDB
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n/an/a 1.06E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548904
PNG
(CHEMBL4789412 | US20230365568, Compound 84)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCc1cccnc1)c1n[nH]c(=S)n21
PDB
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n/an/a 1.07E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548948
PNG
(CHEMBL4781698 | US20230365568, Compound 128)
Show SMILES COc1ccccc1CC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
PDB
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n/an/a 1.15E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548944
PNG
(CHEMBL4754571 | US20230365568, Compound 124)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1cccc(Cl)c1)c1n[nH]c(=S)n21
PDB
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n/an/a 1.15E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548947
PNG
(CHEMBL4742821 | US20230365568, Compound 127)
Show SMILES Oc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1
PDB
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UniChem
n/an/a 1.16E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548885
PNG
(CHEMBL4793697 | US20230365568, Compound 64)
Show SMILES CCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
PDB
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UniProtKB/SwissProt

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UniChem
n/an/a 1.16E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548885
PNG
(CHEMBL4793697 | US20230365568, Compound 64)
Show SMILES CCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
PDB
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UniProtKB/SwissProt

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UniChem
n/an/a 1.16E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548946
PNG
(CHEMBL4762177 | US20230365568, Compound 126)
Show SMILES Cc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1
PDB
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UniChem
n/an/a 1.18E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548900
PNG
(CHEMBL4750016 | US20230365568, Compound 80)
Show SMILES C[C@H]1C[C@@H]1n1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O |r|
PDB
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n/an/a 1.19E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548857
PNG
(CHEMBL4797816 | US20230365568, Compound 36)
Show SMILES CCCN(C)Cn1nc2n(C)c(=O)c3ccccc3n2c1=S
PDB
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548940
PNG
(CHEMBL4791970 | US20230365568, Compound 120)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccccc1)c1n[nH]c(=S)n21
PDB
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UniChem
n/an/a 1.23E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548953
PNG
(CHEMBL4786880 | US20230365568, Compound 133)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccccc1C#N)c1n[nH]c(=S)n21
PDB
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UniChem
n/an/a 1.24E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548848
PNG
(CHEMBL4798714 | US20230365568, Compound 27)
Show SMILES FC(F)(F)CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
PDB
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n/an/a 1.25E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548847
PNG
(CHEMBL4748147 | US20230365568, Compound 26)
Show SMILES CC(C)n1c2n[nH]c(=S)n2c2ccccc2c1=O
PDB
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UniChem
n/an/a 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM80322
PNG
(4-allyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazol...)
Show SMILES C=CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
Show InChI InChI=1S/C12H10N4OS/c1-2-7-15-10(17)8-5-3-4-6-9(8)16-11(15)13-14-12(16)18/h2-6H,1,7H2,(H,14,18)
PDB
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n/an/a 1.31E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548962
PNG
(CHEMBL4748570 | US20230365568, Compound 142)
Show SMILES CCCn1c2nnc(SC(C)=O)n2c2ccccc2c1=O
PDB
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n/an/a 1.33E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548943
PNG
(CHEMBL4785186 | US20230365568, Compound 123)
Show SMILES Fc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1
PDB
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n/an/a 1.35E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548909
PNG
(CHEMBL4758964 | US20230365568, Compound 89)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCN1CCC(F)(F)CC1)c1n[nH]c(=S)n21
PDB
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n/an/a 1.37E+3n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548951
PNG
(CHEMBL4753107 | US20230365568, Compound 131)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccccc1C(F)(F)F)c1n[nH]c(=S)n21
PDB
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548942
PNG
(CHEMBL4757497 | US20230365568, Compound 122)
Show SMILES Fc1cccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)c1
PDB
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n/an/a 1.42E+3n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548887
PNG
(CHEMBL4745372 | US20230365568, Compound 66)
Show SMILES OCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
PDB
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n/an/a 1.44E+3n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548928
PNG
(CHEMBL4795697 | US20230365568, Compound 108)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCCNC(=O)C1CCCC1)c1n[nH]c(=S)n21
PDB
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n/an/a 1.47E+3n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548939
PNG
(CHEMBL4789824 | US20230365568, Compound 119)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCCNC(=O)c1ccc(Cn3ccnc3)cc1)c1n[nH]c(=S)n21
PDB
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n/an/a 1.48E+3n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548878
PNG
(CHEMBL4746990 | US20230365568, Compound 57)
Show SMILES CC(C)NC(=O)CCn1c2n[nH]c(=S)n2c2ccc(Cl)cc2c1=O
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n/an/a 1.49E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548841
PNG
(CHEMBL4754533 | US20230365568, Compound 20)
Show SMILES CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
PDB
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n/an/a 1.49E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548908
PNG
(CHEMBL4762683 | US20230365568, Compound 88)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCN1CCCCC1)c1n[nH]c(=S)n21
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n/an/a 1.51E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548867
PNG
(CHEMBL4794319 | US20230365568, Compound 46)
Show SMILES O=c1n(CCc2ccccc2)c2n[nH]c(=S)n2c2ccc(cc12)N1CCOCC1
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n/an/a 1.54E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548945
PNG
(CHEMBL4741770 | US20230365568, Compound 125)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCCNC(=O)Cc1ccc(Br)cc1)c1n[nH]c(=S)n21
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n/an/a 1.59E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548895
PNG
(CHEMBL4741656 | US20230365568, Compound 74)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCCNC(=O)c1ccccc1)c1n[nH]c(=S)n21
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548877
PNG
(CHEMBL4756416 | US20230365568, Compound 56)
Show SMILES CC(C)OCCCn1c2n[nH]c(=S)n2c2ccc(Cl)cc2c1=O
PDB
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n/an/a 1.62E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548856
PNG
(CHEMBL4745057 | US20230365568, Compound 35)
Show SMILES CCCn1c2nn(CN(C)C3CC3)c(=S)n2c2ccccc2c1=O
PDB
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n/an/a 1.63E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548910
PNG
(CHEMBL4776438 | US20230365568, Compound 90)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCN1CCOCC1)c1n[nH]c(=S)n21
PDB
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n/an/a 1.63E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM636557
PNG
(US20230365568, Compound 38)
Show SMILES CCCn1c2nn(CN(CC)CC(C)C)c(=S)n2c2ccccc2c1=O
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n/an/a 1.67E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM80321
PNG
(4-(3-ethoxypropyl)-1-sulfanylidene-2H-[1,2,4]triaz...)
Show SMILES CCOCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
Show InChI InChI=1S/C14H16N4O2S/c1-2-20-9-5-8-17-12(19)10-6-3-4-7-11(10)18-13(17)15-16-14(18)21/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,21)
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n/an/a 1.68E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM59062
PNG
(4-(3-methylbutyl)-1-sulfanylidene-2H-[1,2,4]triazo...)
Show SMILES CC(C)CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
Show InChI InChI=1S/C14H16N4OS/c1-9(2)7-8-17-12(19)10-5-3-4-6-11(10)18-13(17)15-16-14(18)20/h3-6,9H,7-8H2,1-2H3,(H,16,20)
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n/an/a 1.73E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM60900
PNG
(4-(3-methoxypropyl)-1-sulfanylidene-2H-[1,2,4]tria...)
Show SMILES COCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
Show InChI InChI=1S/C13H14N4O2S/c1-19-8-4-7-16-11(18)9-5-2-3-6-10(9)17-12(16)14-15-13(17)20/h2-3,5-6H,4,7-8H2,1H3,(H,15,20)
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n/an/a 1.75E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548875
PNG
(CHEMBL4784212 | US20230365568, Compound 54)
Show SMILES CCCn1c2n[nH]c(=S)n2c2ccc(Cl)cc2c1=O
PDB
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n/an/a 1.77E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548941
PNG
(CHEMBL4741217 | US20230365568, Compound 121)
Show SMILES Cc1noc(C)c1CCC(=O)NCCCn1c2n[nH]c(=S)n2c2ccc(F)cc2c1=O
PDB
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n/an/a 1.78E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548935
PNG
(CHEMBL4785254 | US20230365568, Compound 115)
Show SMILES Fc1ccc2c(c1)c(=O)n(CCCNC(=O)C1CCOCC1)c1n[nH]c(=S)n21
PDB
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n/an/a 1.79E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548858
PNG
(CHEMBL4785390 | US20230365568, Compound 37)
Show SMILES CCCN(C)Cn1nc2n(CCC)c(=O)c3ccccc3n2c1=S
PDB
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n/an/a 1.83E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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