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SMILES: COc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1

InChI Key:

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50548950   
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))
BDBM50548950
PNG
(CHEMBL4745902 | US20230365568, Compound 130)
Show SMILES COc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.06E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50548950
PNG
(CHEMBL4745902 | US20230365568, Compound 130)
Show SMILES COc1ccc(CC(=O)NCCCn2c3n[nH]c(=S)n3c3ccc(F)cc3c2=O)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of biotin-Ahx-CETFDPPLHSpTAI-NH2 binding to recombinant human full-length HA-EGFP-tagged Plk1 PBD expressed in HEK293A cells preincubated ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01669
BindingDB Entry DOI: 10.7270/Q2R49VDZ
More data for this
Ligand-Target Pair