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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'kim' and Initial = 'hn'   
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))
BDBM50554673
PNG
(CHEMBL4760204)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(N)=O |r|
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-carboxyfluorescein-labeled PBD-binding peptide from PLk1 PBD (unknown origin) expressed in bacterial expression system incubated fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01451
BindingDB Entry DOI: 10.7270/Q2W38105
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM50436447
PNG
(CHEMBL2397162)
Show SMILES COc1ccccc1COc1ccccc1C=CC=C1SC(S)=NC1=O |w:16.17,18.19,c:24|
Show InChI InChI=1S/C20H17NO3S2/c1-23-16-10-4-3-8-15(16)13-24-17-11-5-2-7-14(17)9-6-12-18-19(22)21-20(25)26-18/h2-12H,13H2,1H3,(H,21,22,25)
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PC sid
UniChem
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n/an/a 800n/an/an/an/an/an/a



University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged full length PRL3 assessed as inhibition of DiFMUP dephosphorylation


Bioorg Med Chem Lett 23: 3769-74 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.092
BindingDB Entry DOI: 10.7270/Q2QR4ZHJ
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM50184288
PNG
(5-(2-(2-bromobenzyloxy)-5-bromobenzylidene)-2-thio...)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1ccccc1Br |w:7.8,t:1|
Show InChI InChI=1S/C17H11Br2NO2S2/c18-12-5-6-14(22-9-10-3-1-2-4-13(10)19)11(7-12)8-15-16(21)20-17(23)24-15/h1-8H,9H2,(H,20,21,23)
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged full length PRL3 assessed as inhibition of DiFMUP dephosphorylation


Bioorg Med Chem Lett 23: 3769-74 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.092
BindingDB Entry DOI: 10.7270/Q2QR4ZHJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50554676
PNG
(CHEMBL4788427)
Show SMILES [#6]-[#7]-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c(n1)-c1ccccc1
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n/an/a 1.64E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-carboxyfluorescein-labeled PBD-binding peptide from PLk1 PBD (unknown origin) expressed in bacterial expression system incubated fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01451
BindingDB Entry DOI: 10.7270/Q2W38105
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50554672
PNG
(CHEMBL4758139)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r|
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UniChem
Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-carboxyfluorescein-labeled PBD-binding peptide from PLk1 PBD (unknown origin) expressed in bacterial expression system incubated fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01451
BindingDB Entry DOI: 10.7270/Q2W38105
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50554674
PNG
(CHEMBL4777323)
Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]/c2cn(nc2-c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1
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n/an/a 3.22E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-carboxyfluorescein-labeled PBD-binding peptide from PLk1 PBD (unknown origin) expressed in bacterial expression system incubated fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01451
BindingDB Entry DOI: 10.7270/Q2W38105
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50554675
PNG
(CHEMBL4792348)
Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]/c2cn(-[#6]-c3ccccc3)nc2-c2ccccc2)-[#6](=O)-[#7]-1
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n/an/a 5.27E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-carboxyfluorescein-labeled PBD-binding peptide from PLk1 PBD (unknown origin) expressed in bacterial expression system incubated fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01451
BindingDB Entry DOI: 10.7270/Q2W38105
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50554677
PNG
(CHEMBL4765111)
Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2cn(-[#6]-[#6]-[#7]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)nc2-c2ccccc2)-[#6](=O)-[#7]-1
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UniChem
Article
PubMed
n/an/a 7.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-carboxyfluorescein-labeled PBD-binding peptide from PLk1 PBD (unknown origin) expressed in bacterial expression system incubated fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01451
BindingDB Entry DOI: 10.7270/Q2W38105
More data for this
Ligand-Target Pair