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SMILES: C=CCn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc12

InChI Key: InChIKey=CBDVEMJKSUSVCA-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 = 41792   
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))
BDBM41792
PNG
(5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl...)
Show SMILES C=CCn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc12
Show InChI InChI=1S/C19H14N6OS/c1-2-9-25-16-6-4-3-5-13(16)17-18(25)20-19(22-21-17)27-11-12-7-8-14-15(10-12)24-26-23-14/h2-8,10H,1,9,11H2
PDB
MMDB

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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))
BDBM41792
PNG
(5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl...)
Show SMILES C=CCn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc12
Show InChI InChI=1S/C19H14N6OS/c1-2-9-25-16-6-4-3-5-13(16)17-18(25)20-19(22-21-17)27-11-12-7-8-14-15(10-12)24-26-23-14/h2-8,10H,1,9,11H2
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))
BDBM41792
PNG
(5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl...)
Show SMILES C=CCn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc12
Show InChI InChI=1S/C19H14N6OS/c1-2-9-25-16-6-4-3-5-13(16)17-18(25)20-19(22-21-17)27-11-12-7-8-14-15(10-12)24-26-23-14/h2-8,10H,1,9,11H2
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