BindingDB logo
myBDB logout

BDBM50433416 CHEMBL2380660

SMILES: CC(C)C[C@@H]1NC(=O)CN(CCCCCC(=O)NCCc2cn(C(C)=O)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=OORPAHIABJKOQZ-QMBSKNLRSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433416   
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))		BDBM50433416
PNG
(CHEMBL2380660)
Show SMILES CC(C)C[C@@H]1NC(=O)CN(CCCCCC(=O)NCCc2cn(C(C)=O)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/C44H64N11O14PS/c1-25(2)16-31-41(62)50-32(17-29-18-46-24-48-29)42(63)51-33(21-56)43(64)53-39(26(3)69-70(66,67)68)44(65)52-34(40(45)61)22-71-23-38(60)54(20-37(59)49-31)15-9-5-6-12-36(58)47-14-13-28-19-55(27(4)57)35-11-8-7-10-30(28)35/h7-8,10-11,18-19,24-26,31-34,39,56H,5-6,9,12-17,20-23H2,1-4H3,(H2,45,61)(H,46,48)(H,47,58)(H,49,59)(H,50,62)(H,51,63)(H,52,65)(H,53,64)(H2,66,67,68)/t26-,31+,32+,33+,34-,39+/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 2.56E+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