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BDBM50433414 CHEMBL2380650

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=QPBYPJKNTKPWHP-XRSOISPESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433414   
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))		BDBM50433414
PNG
(CHEMBL2380650)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C71H102N16O22/c1-9-36(4)56(67(105)77-46(59(72)97)28-42-19-21-44(92)22-20-42)83-60(98)37(5)75-68(106)57(38(6)89)85-65(103)51(33-88)82-64(102)49(30-43-32-73-34-74-43)78-62(100)47(27-35(2)3)79-66(104)52-17-13-25-86(52)71(109)53-18-14-26-87(53)70(108)50(31-55(95)96)81-63(101)48(29-41-15-11-10-12-16-41)80-69(107)58(39(7)90)84-61(99)45(76-40(8)91)23-24-54(93)94/h10-12,15-16,19-22,32,34-39,45-53,56-58,88-90,92H,9,13-14,17-18,23-31,33H2,1-8H3,(H2,72,97)(H,73,74)(H,75,106)(H,76,91)(H,77,105)(H,78,100)(H,79,104)(H,80,107)(H,81,101)(H,82,102)(H,83,98)(H,84,99)(H,85,103)(H,93,94)(H,95,96)/t36-,37-,38+,39+,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-,58-/m0/s1
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Article
PubMed
n/an/a 120n/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