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BDBM80804 2-Ethyl-3-methyl-1-methylamino-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile::2-ethyl-3-methyl-1-(methylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile::2-ethyl-3-methyl-1-(methylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile::MLS001198575::SMR000558985::cid_779734

SMILES: CCc1c(C)c(C#N)c2nc3ccccc3n2c1NC

InChI Key: InChIKey=DSLDSOQPUFCHSI-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 80804   
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
Hexokinase type I


(Homo sapiens)
BDBM80804
PNG
(2-Ethyl-3-methyl-1-methylamino-benzo[4,5]imidazo[1...)
Show SMILES CCc1c(C)c(C#N)c2nc3ccccc3n2c1NC
Show InChI InChI=1S/C16H16N4/c1-4-11-10(2)12(9-17)16-19-13-7-5-6-8-14(13)20(16)15(11)18-3/h5-8,18H,4H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.11E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2765CSM
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens)
BDBM80804
PNG
(2-Ethyl-3-methyl-1-methylamino-benzo[4,5]imidazo[1...)
Show SMILES CCc1c(C)c(C#N)c2nc3ccccc3n2c1NC
Show InChI InChI=1S/C16H16N4/c1-4-11-10(2)12(9-17)16-19-13-7-5-6-8-14(13)20(16)15(11)18-3/h5-8,18H,4H2,1-3H3
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.48E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2R78CQV
More data for this
Ligand-Target Pair