BDBM50541 (6Z)-6-[(2,5-dimethyl-1H-indol-3-yl)methylene]-5-imino-3-(isopropylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-amino-6-[(Z)-(2,5-dimethyl-3-indolylidene)methyl]-3-propan-2-ylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-amino-6-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-3-isopropylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-amino-6-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-3-propan-2-ylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-azanyl-6-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-3-propan-2-ylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::MLS000730746::SMR000309121::cid_16195591

SMILES CC(C)S(=O)(=O)c1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccc(C)cc34)c(N)n12

InChI Key InChIKey=HMYMFQKRUOWPJR-XYOKQWHBSA-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 = 50541   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50541((6Z)-6-[(2,5-dimethyl-1H-indol-3-yl)methylene]-5-i...)
Affinity DataIC50:  1.18E+4nMAssay 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 DepthDetails PCBioAssay
TargetM17 leucyl aminopeptidase(Plasmodium falciparum 3D7)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM50541((6Z)-6-[(2,5-dimethyl-1H-indol-3-yl)methylene]-5-i...)
Affinity DataIC50:  7.16E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM1 family aminopeptidase(Plasmodium falciparum (isolate FcB1 / Columbia))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM50541((6Z)-6-[(2,5-dimethyl-1H-indol-3-yl)methylene]-5-i...)
Affinity DataIC50:  9.85E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay