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BDBM50426931 CHEMBL2323729

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(O)=O

InChI Key: InChIKey=IYLBMSHZRRWSRM-FALOATQWSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50426931   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50426931
PNG
(CHEMBL2323729)
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(O)=O |r|
Show InChI InChI=1S/C26H42N7O12P/c1-13(2)8-17(30-25(39)20-6-5-7-33(20)15(4)35)22(36)29-18(9-16-10-27-12-28-16)23(37)31-19(11-34)24(38)32-21(26(40)41)14(3)45-46(42,43)44/h10,12-14,17-21,34H,5-9,11H2,1-4H3,(H,27,28)(H,29,36)(H,30,39)(H,31,37)(H,32,38)(H,40,41)(H2,42,43,44)/t14-,17+,18+,19+,20+,21+/m1/s1
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Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Korea Basic Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HA-EGFP tagged Plk1 polo-box domain (unknown origin) expressed in 293A cells assessed as inhibition of biotin-p-T78 binding after 1 hr ...


Bioorg Med Chem 21: 2623-34 (2013)


Article DOI: 10.1016/j.bmc.2013.02.020
BindingDB Entry DOI: 10.7270/Q2J38TZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50426931
PNG
(CHEMBL2323729)
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(O)=O |r|
Show InChI InChI=1S/C26H42N7O12P/c1-13(2)8-17(30-25(39)20-6-5-7-33(20)15(4)35)22(36)29-18(9-16-10-27-12-28-16)23(37)31-19(11-34)24(38)32-21(26(40)41)14(3)45-46(42,43)44/h10,12-14,17-21,34H,5-9,11H2,1-4H3,(H,27,28)(H,29,36)(H,30,39)(H,31,37)(H,32,38)(H,40,41)(H2,42,43,44)/t14-,17+,18+,19+,20+,21+/m1/s1
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n/an/a 1.47E+4n/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))
BDBM50426931
PNG
(CHEMBL2323729)
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(O)=O |r|
Show InChI InChI=1S/C26H42N7O12P/c1-13(2)8-17(30-25(39)20-6-5-7-33(20)15(4)35)22(36)29-18(9-16-10-27-12-28-16)23(37)31-19(11-34)24(38)32-21(26(40)41)14(3)45-46(42,43)44/h10,12-14,17-21,34H,5-9,11H2,1-4H3,(H,27,28)(H,29,36)(H,30,39)(H,31,37)(H,32,38)(H,40,41)(H2,42,43,44)/t14-,17+,18+,19+,20+,21+/m1/s1
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Similars

n/an/a 2.20E+4n/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))
BDBM50426931
PNG
(CHEMBL2323729)
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(O)=O |r|
Show InChI InChI=1S/C26H42N7O12P/c1-13(2)8-17(30-25(39)20-6-5-7-33(20)15(4)35)22(36)29-18(9-16-10-27-12-28-16)23(37)31-19(11-34)24(38)32-21(26(40)41)14(3)45-46(42,43)44/h10,12-14,17-21,34H,5-9,11H2,1-4H3,(H,27,28)(H,29,36)(H,30,39)(H,31,37)(H,32,38)(H,40,41)(H2,42,43,44)/t14-,17+,18+,19+,20+,21+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.27E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of Plk1 polo-box domain in human HeLa cells/biotin-GGGGG-PLHSpT interaction incubated for 30 mins measured after 60 mins by ELISA


Bioorg Med Chem 21: 608-17 (2013)


Article DOI: 10.1016/j.bmc.2012.11.054
BindingDB Entry DOI: 10.7270/Q2QZ2C94
More data for this
Ligand-Target Pair