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BDBM80823 MLS002702391::N-(1-pyrimidin-4-ylethylideneamino)-3-azabicyclo[3.2.2]nonane-3-carbothioamide::N-[1-(4-pyrimidinyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide::N-[1-(4-pyrimidyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide::SMR001565953::cid_3005605

SMILES:

InChI Key: InChIKey=RVJBBAQRNVSEOO-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 = 80823   
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)
BDBM80823
PNG
(MLS002702391 | N-(1-pyrimidin-4-ylethylideneamino)...)
Show InChI InChI=1S/C15H21N5S/c1-11(14-6-7-16-10-17-14)18-19-15(21)20-8-12-2-3-13(9-20)5-4-12/h6-7,10,12-13H,2-5,8-9H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)
BDBM80823
PNG
(MLS002702391 | N-(1-pyrimidin-4-ylethylideneamino)...)
Show InChI InChI=1S/C15H21N5S/c1-11(14-6-7-16-10-17-14)18-19-15(21)20-8-12-2-3-13(9-20)5-4-12/h6-7,10,12-13H,2-5,8-9H2,1H3,(H,19,21)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 1.33E+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