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SMILES: CCC(=O)Nc1ccc(cc1)-c1nnc(SCC(=O)Nc2nccs2)n1C

InChI Key: InChIKey=CNOUHVBUCKBSLD-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 = 41748   
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))
BDBM41748
PNG
(MLS000076456 | N-[4-[4-methyl-5-[2-oxidanylidene-2...)
Show SMILES CCC(=O)Nc1ccc(cc1)-c1nnc(SCC(=O)Nc2nccs2)n1C
Show InChI InChI=1S/C17H18N6O2S2/c1-3-13(24)19-12-6-4-11(5-7-12)15-21-22-17(23(15)2)27-10-14(25)20-16-18-8-9-26-16/h4-9H,3,10H2,1-2H3,(H,19,24)(H,18,20,25)
PDB
MMDB

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PC cid
PC sid
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Similars

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))
BDBM41748
PNG
(MLS000076456 | N-[4-[4-methyl-5-[2-oxidanylidene-2...)
Show SMILES CCC(=O)Nc1ccc(cc1)-c1nnc(SCC(=O)Nc2nccs2)n1C
Show InChI InChI=1S/C17H18N6O2S2/c1-3-13(24)19-12-6-4-11(5-7-12)15-21-22-17(23(15)2)27-10-14(25)20-16-18-8-9-26-16/h4-9H,3,10H2,1-2H3,(H,19,24)(H,18,20,25)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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))
BDBM41748
PNG
(MLS000076456 | N-[4-[4-methyl-5-[2-oxidanylidene-2...)
Show SMILES CCC(=O)Nc1ccc(cc1)-c1nnc(SCC(=O)Nc2nccs2)n1C
Show InChI InChI=1S/C17H18N6O2S2/c1-3-13(24)19-12-6-4-11(5-7-12)15-21-22-17(23(15)2)27-10-14(25)20-16-18-8-9-26-16/h4-9H,3,10H2,1-2H3,(H,19,24)(H,18,20,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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