BDBM80801 8-[2-[(Z)-(1-cyclohexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione::8-[2-[(Z)-[1-cyclohexyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione::8-[N'-[(Z)-(1-cyclohexyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]hydrazino]-1,3,7-trimethyl-xanthine::8-[[(Z)-(1-cyclohexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]hydrazo]-1,3,7-trimethylpurine-2,6-dione::8-{N'-[1-Cyclohexyl-4,6-dioxo-2-thioxo-tetrahydro-pyrimidin-(5Z)-ylidenemethyl]-hydrazino}-1,3,7-trimeth yl-3,7-dihydro-purine-2,6-dione::MLS000332932::SMR000436223::cid_16682249

SMILES Cn1c(NNC=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key InChIKey=QZVWJQTXDZCJDN-UHFFFAOYSA-N

Data  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 80801   

TargetHexokinase-1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80801(8-[2-[(Z)-(1-cyclohexyl-4,6-dioxo-2-sulfanylidene-...)
Affinity DataEC50:  7.59E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80801(8-[2-[(Z)-(1-cyclohexyl-4,6-dioxo-2-sulfanylidene-...)
Affinity DataEC50: >8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay