BindingDB logo
myBDB logout

null

SMILES: O=C(Nc1ccccn1)C1CCN(CC1)S(=O)(=O)c1cccc2nonc12

InChI Key: InChIKey=PZMQVMXXJJCIDZ-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 2 hits for monomerid = 41777   
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))
BDBM41777
PNG
(1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-pyridiny...)
Show SMILES O=C(Nc1ccccn1)C1CCN(CC1)S(=O)(=O)c1cccc2nonc12
Show InChI InChI=1S/C17H17N5O4S/c23-17(19-15-6-1-2-9-18-15)12-7-10-22(11-8-12)27(24,25)14-5-3-4-13-16(14)21-26-20-13/h1-6,9,12H,7-8,10-11H2,(H,18,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM41777
PNG
(1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-pyridiny...)
Show SMILES O=C(Nc1ccccn1)C1CCN(CC1)S(=O)(=O)c1cccc2nonc12
Show InChI InChI=1S/C17H17N5O4S/c23-17(19-15-6-1-2-9-18-15)12-7-10-22(11-8-12)27(24,25)14-5-3-4-13-16(14)21-26-20-13/h1-6,9,12H,7-8,10-11H2,(H,18,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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