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SMILES: Cc1nn2c(ncc(NC(=O)c3ccc(C)cc3)c2=O)s1

InChI Key: InChIKey=MLXGFKLTQYTDMA-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 = 41784   
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))
BDBM41784
PNG
(4-methyl-N-(2-methyl-5-oxidanylidene-[1,3,4]thiadi...)
Show SMILES Cc1nn2c(ncc(NC(=O)c3ccc(C)cc3)c2=O)s1
Show InChI InChI=1S/C14H12N4O2S/c1-8-3-5-10(6-4-8)12(19)16-11-7-15-14-18(13(11)20)17-9(2)21-14/h3-7H,1-2H3,(H,16,19)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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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))
BDBM41784
PNG
(4-methyl-N-(2-methyl-5-oxidanylidene-[1,3,4]thiadi...)
Show SMILES Cc1nn2c(ncc(NC(=O)c3ccc(C)cc3)c2=O)s1
Show InChI InChI=1S/C14H12N4O2S/c1-8-3-5-10(6-4-8)12(19)16-11-7-15-14-18(13(11)20)17-9(2)21-14/h3-7H,1-2H3,(H,16,19)
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))
BDBM41784
PNG
(4-methyl-N-(2-methyl-5-oxidanylidene-[1,3,4]thiadi...)
Show SMILES Cc1nn2c(ncc(NC(=O)c3ccc(C)cc3)c2=O)s1
Show InChI InChI=1S/C14H12N4O2S/c1-8-3-5-10(6-4-8)12(19)16-11-7-15-14-18(13(11)20)17-9(2)21-14/h3-7H,1-2H3,(H,16,19)
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