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BDBM50060917 ON-01910::RIGOSERTIB::Rigosertib

SMILES: COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1

InChI Key: InChIKey=OWBFCJROIKNMGD-BQYQJAHWSA-N

Data: 1 IC50

PDB links: 2 PDB IDs match this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50060917   
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))
BDBM50060917
PNG
(ON-01910 | RIGOSERTIB | Rigosertib)
Show SMILES COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1
Show InChI InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plk1 (unknown origin) preincubated for 30 mins before recombinant Cdc25C substrate addition by ADP-Glo kinase assay


Bioorg Med Chem Lett 25: 431-4 (2015)

More data for this
Ligand-Target Pair