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BDBM50433413 CHEMBL2380651

SMILES: CC(C)C[C@@H]1NC(=O)CN(CCC(=O)NCCc2c[nH]c3ccccc23)C(=O)CSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O

InChI Key: InChIKey=QECCEBUDDKKVOA-KQFQEUIISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433413   
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))		BDBM50433413
PNG
(CHEMBL2380651)
Show SMILES CC(C)C[C@@H]1NC(=O)CN(CCC(=O)NCCc2c[nH]c3ccccc23)C(=O)CSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O |r|
Show InChI InChI=1S/C39H56N11O13PS/c1-21(2)12-27-36(56)46-28(13-24-15-41-20-44-24)37(57)47-29(17-51)38(58)49-34(22(3)63-64(60,61)62)39(59)48-30(35(40)55)18-65-19-33(54)50(16-32(53)45-27)11-9-31(52)42-10-8-23-14-43-26-7-5-4-6-25(23)26/h4-7,14-15,20-22,27-30,34,43,51H,8-13,16-19H2,1-3H3,(H2,40,55)(H,41,44)(H,42,52)(H,45,53)(H,46,56)(H,47,57)(H,48,59)(H,49,58)(H2,60,61,62)/t22-,27+,28+,29+,30-,34+/m1/s1
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Similars
Article
PubMed
n/an/a 4.75E+3n/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