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1 similar compounds to monomer 80813

Compile data set for download or QSAR
Wt: 276.4
BDBM80821

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 80821   
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 (Human))
BDBM80821
PNG
(MLS002702263 | N-[1-(6-methyl-2-pyridinyl)ethylide...)
Show SMILES CC(=NNC(=S)N1CCCCC1)c1cccc(C)n1
Show InChI InChI=1S/C14H20N4S/c1-11-7-6-8-13(15-11)12(2)16-17-14(19)18-9-4-3-5-10-18/h6-8H,3-5,9-10H2,1-2H3,(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>8.00E+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 (Human))
BDBM80821
PNG
(MLS002702263 | N-[1-(6-methyl-2-pyridinyl)ethylide...)
Show SMILES CC(=NNC(=S)N1CCCCC1)c1cccc(C)n1
Show InChI InChI=1S/C14H20N4S/c1-11-7-6-8-13(15-11)12(2)16-17-14(19)18-9-4-3-5-10-18/h6-8H,3-5,9-10H2,1-2H3,(H,17,19)
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.45E+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