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BDBM50339793 3-(benzyloxy)-5-(6-(1-methylpiperidin-4-yloxy)-1H-benzo[d]imidazol-1-yl)thiophene-2-carboxamide::CHEMBL1689159

SMILES: CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4)c(s3)C(N)=O)c2c1

InChI Key: InChIKey=GVKBBYXGXQFMBY-UHFFFAOYSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50339793   
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))
BDBM50339793
PNG
(3-(benzyloxy)-5-(6-(1-methylpiperidin-4-yloxy)-1H-...)
Show SMILES CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4)c(s3)C(N)=O)c2c1
Show InChI InChI=1S/C25H26N4O3S/c1-28-11-9-18(10-12-28)32-19-7-8-20-21(13-19)29(16-27-20)23-14-22(24(33-23)25(26)30)31-15-17-5-3-2-4-6-17/h2-8,13-14,16,18H,9-12,15H2,1H3,(H2,26,30)
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 69n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of polo-like kinase 1 activity


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50339793
PNG
(3-(benzyloxy)-5-(6-(1-methylpiperidin-4-yloxy)-1H-...)
Show SMILES CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4)c(s3)C(N)=O)c2c1
Show InChI InChI=1S/C25H26N4O3S/c1-28-11-9-18(10-12-28)32-19-7-8-20-21(13-19)29(16-27-20)23-14-22(24(33-23)25(26)30)31-15-17-5-3-2-4-6-17/h2-8,13-14,16,18H,9-12,15H2,1H3,(H2,26,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.43E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of NEK2


J Med Chem 54: 1626-39 (2011)


Article DOI: 10.1021/jm1011726
BindingDB Entry DOI: 10.7270/Q2057G7X
More data for this
Ligand-Target Pair