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BDBM41812 (1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-(4-methoxy-phenyl)-methyl-amine::(1,1-diketo-1,2-benzothiazol-3-yl)-(4-methoxyphenyl)-methyl-amine::MLS000068583::N-(4-methoxyphenyl)-N-methyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine::N-(4-methoxyphenyl)-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine::SMR000122953::cid_785727

SMILES: COc1ccc(cc1)N(C)C1=NS(=O)(=O)c2ccccc12

InChI Key: InChIKey=LLZMQRONMABMKW-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 = 41812   
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))
BDBM41812
PNG
((1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-...)
Show SMILES COc1ccc(cc1)N(C)C1=NS(=O)(=O)c2ccccc12 |t:11|
Show InChI InChI=1S/C15H14N2O3S/c1-17(11-7-9-12(20-2)10-8-11)15-13-5-3-4-6-14(13)21(18,19)16-15/h3-10H,1-2H3
PDB
MMDB

NCI pathway
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KEGG

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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/Q2Z036KJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM41812
PNG
((1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-...)
Show SMILES COc1ccc(cc1)N(C)C1=NS(=O)(=O)c2ccccc12 |t:11|
Show InChI InChI=1S/C15H14N2O3S/c1-17(11-7-9-12(20-2)10-8-11)15-13-5-3-4-6-14(13)21(18,19)16-15/h3-10H,1-2H3
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/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))
BDBM41812
PNG
((1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-...)
Show SMILES COc1ccc(cc1)N(C)C1=NS(=O)(=O)c2ccccc12 |t:11|
Show InChI InChI=1S/C15H14N2O3S/c1-17(11-7-9-12(20-2)10-8-11)15-13-5-3-4-6-14(13)21(18,19)16-15/h3-10H,1-2H3
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