BDBM50358 MLS000390413::N-(9,10-diketo-2-anthryl)-2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide::N-(9,10-dioxo-2-anthracenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide::N-(9,10-dioxoanthracen-2-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide::N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide::SMR000255380::cid_15945322

SMILES CC(C)Nc1nnc(SCC(=O)Nc2ccc3C(=O)c4ccccc4C(=O)c3c2)s1

InChI Key InChIKey=LNYPMFJRHPBVMA-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 50358   

LigandPNGBDBM50358(SMR000255380 | MLS000390413 | cid_15945322 | N-[9,...)
Affinity DataIC50: 2.02E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetHexokinase HKDC1 [W721R](Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50358(SMR000255380 | MLS000390413 | cid_15945322 | N-[9,...)
Affinity DataIC50: 2.23E+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 Depth
Date in BDB:
8/4/2011
Entry Details
PCBioAssay
TargetHexokinase HKDC1 [W721R](Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50358(SMR000255380 | MLS000390413 | cid_15945322 | N-[9,...)
Affinity DataIC50: 2.97E+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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay