BindingDB logo
myBDB logout

BDBM75042 (6Z)-5-imino-6-(1H-indol-3-ylmethylene)-3-(methylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-amino-6-[(Z)-3-indolylidenemethyl]-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-amino-6-[(Z)-indol-3-ylidenemethyl]-3-mesyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-amino-6-[(Z)-indol-3-ylidenemethyl]-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-azanyl-6-[(Z)-indol-3-ylidenemethyl]-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::MLS000730735::SMR000309110::cid_16195588

SMILES: CS(=O)(=O)c1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12

InChI Key: InChIKey=VSDXXXYMZFWFEU-SOFGYWHQSA-N

Data: 1 IC50  1 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 = 75042   
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
Homo sapiens huntingtin (HTT), mRNA


(Homo sapiens (Human))
BDBM75042
PNG
((6Z)-5-imino-6-(1H-indol-3-ylmethylene)-3-(methyls...)
Show SMILES CS(=O)(=O)c1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12 |c:14|
Show InChI InChI=1S/C15H11N5O3S2/c1-25(22,23)15-19-24-14-18-13(21)10(12(16)20(14)15)6-8-7-17-11-5-3-2-4-9(8)11/h2-7H,16H2,1H3/b8-6+
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.19E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2N58K09
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM75042
PNG
((6Z)-5-imino-6-(1H-indol-3-ylmethylene)-3-(methyls...)
Show SMILES CS(=O)(=O)c1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12 |c:14|
Show InChI InChI=1S/C15H11N5O3S2/c1-25(22,23)15-19-24-14-18-13(21)10(12(16)20(14)15)6-8-7-17-11-5-3-2-4-9(8)11/h2-7H,16H2,1H3/b8-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.01E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair