BDBM80809 3-[1-methyl-5-[(1-methyl-5-pyridin-3-yl-pyrrol-2-yl)disulfanyl]pyrrol-2-yl]pyridine::3-[1-methyl-5-[(1-methyl-5-pyridin-3-ylpyrrol-2-yl)disulfanyl]pyrrol-2-yl]pyridine::3-[1-methyl-5-[[1-methyl-5-(3-pyridinyl)-2-pyrrolyl]disulfanyl]-2-pyrrolyl]pyridine::3-[1-methyl-5-[[1-methyl-5-(3-pyridyl)pyrrol-2-yl]disulfanyl]pyrrol-2-yl]pyridine::MLS002637680::SMR001547203::cid_220466

SMILES Cn1c(SSc2ccc(-c3cccnc3)n2C)ccc1-c1cccnc1

InChI Key InChIKey=VJDGONRHHHOESK-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 = 80809   

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

Curated by PubChem BioAssay
LigandPNGBDBM80809(3-[1-methyl-5-[(1-methyl-5-pyridin-3-yl-pyrrol-2-y...)
Affinity DataEC50:  1.42E+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
Ligand InfoKEGGPC cidPC sid
In DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80809(3-[1-methyl-5-[(1-methyl-5-pyridin-3-yl-pyrrol-2-y...)
Affinity DataEC50:  1.48E+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
Ligand InfoKEGGPC cidPC sid
In DepthDetails PCBioAssay