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BDBM86339 Phosphodiester analog, 4h

SMILES: CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O

InChI Key: InChIKey=COWIGBIUFSUYDX-STMKAHLYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 86339   
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))		BDBM86339
PNG
(Phosphodiester analog, 4h)
Show SMILES CC(C)C[C@H](NC(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCc1ccccc1)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/C38H59N8O11P/c1-24(2)19-29(42-38(53)32-16-12-18-46(32)26(4)48)35(50)41-30(20-28-21-40-23-45(28)17-11-6-5-8-13-27-14-9-7-10-15-27)36(51)43-31(22-47)37(52)44-33(34(39)49)25(3)57-58(54,55)56/h7,9-10,14-15,21,23-25,29-33,47H,5-6,8,11-13,16-20,22H2,1-4H3,(H2,39,49)(H,41,50)(H,42,53)(H,43,51)(H,44,52)(H2,54,55,56)/t25-,29+,30+,31+,32?,33+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 55n/an/an/an/a8.025



National Cancer Institute-Frederick



Assay Description
The evaluation of Plk1 PBD binding affinities of the synthetic compounds using an ELISA-based 96-well assay.

Nat Chem Biol 7: 595-601 (2011)


Article DOI: 10.1038/nchembio.614
BindingDB Entry DOI: 10.7270/Q2CN72GB
More data for this
Ligand-Target Pair