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SMILES: CCNC(=O)NC(=O)C(C)OC(=O)c1cccnc1SC

InChI Key: InChIKey=MODWYEMRBXFKPQ-UHFFFAOYSA-N

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 3 hits for monomerid = 41772   
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))
BDBM41772
PNG
(2-(methylthio)-3-pyridinecarboxylic acid [1-(ethyl...)
Show SMILES CCNC(=O)NC(=O)C(C)OC(=O)c1cccnc1SC
Show InChI InChI=1S/C13H17N3O4S/c1-4-14-13(19)16-10(17)8(2)20-12(18)9-6-5-7-15-11(9)21-3/h5-8H,4H2,1-3H3,(H2,14,16,17,19)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z036KJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41772
PNG
(2-(methylthio)-3-pyridinecarboxylic acid [1-(ethyl...)
Show SMILES CCNC(=O)NC(=O)C(C)OC(=O)c1cccnc1SC
Show InChI InChI=1S/C13H17N3O4S/c1-4-14-13(19)16-10(17)8(2)20-12(18)9-6-5-7-15-11(9)21-3/h5-8H,4H2,1-3H3,(H2,14,16,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N58JS6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41772
PNG
(2-(methylthio)-3-pyridinecarboxylic acid [1-(ethyl...)
Show SMILES CCNC(=O)NC(=O)C(C)OC(=O)c1cccnc1SC
Show InChI InChI=1S/C13H17N3O4S/c1-4-14-13(19)16-10(17)8(2)20-12(18)9-6-5-7-15-11(9)21-3/h5-8H,4H2,1-3H3,(H2,14,16,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair