BDBM32835 (4-methylphenyl)-(2-methylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)methanone::(4-methylphenyl)-[2-(methylthio)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]methanone::MLS000544330::SMR000160479::[2-(methylthio)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]-(p-tolyl)methanone::cid_5219869::methyl 1-(4-methylbenzoyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl sulfide

SMILES CSc1nc2cc3OCCOc3cc2n1C(=O)c1ccc(C)cc1

InChI Key InChIKey=IGUWUTUJRGNIDR-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 32835   

TargetReplicase polyprotein 1ab(2019-nCoV)
Univ. Lille

Curated by ChEMBL
LigandPNGBDBM32835(MLS000544330 | cid_5219869 | methyl 1-(4-methylben...)
Affinity DataIC50: 140nMAssay Description:Inhibition of SARS-CoV-2 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated for 30 mins followed by substrate addition and measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Univ. Lille

Curated by ChEMBL
LigandPNGBDBM32835(MLS000544330 | cid_5219869 | methyl 1-(4-methylben...)
Affinity DataIC50: 140nMAssay Description:Inhibition of SARS-CoV-2 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated for 1 hrs in presence of 2 mM GSH followed by substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(HCoV-229E)
Univ. Lille

Curated by ChEMBL
LigandPNGBDBM32835(MLS000544330 | cid_5219869 | methyl 1-(4-methylben...)
Affinity DataIC50: 190nMAssay Description:Inhibition of hCoV-229E 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated 1 hr in presence of 2 mM GSH followed by substrate add...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Univ. Lille

Curated by ChEMBL
LigandPNGBDBM32835(MLS000544330 | cid_5219869 | methyl 1-(4-methylben...)
Affinity DataIC50: 380nMAssay Description:Inhibition of SARS-CoV-2 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated for 60 mins in absence of GSH followed by substrate a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Univ. Lille

Curated by ChEMBL
LigandPNGBDBM32835(MLS000544330 | cid_5219869 | methyl 1-(4-methylben...)
Affinity DataIC50: 390nMAssay Description:Inhibition of SARS-CoV-2 3CLpro using Dabcyl-KTSAVLQSGFRKM-Glu(Edans) as substrate preincubated for 60 mins in presence of GSH followed by substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32835(MLS000544330 | cid_5219869 | methyl 1-(4-methylben...)
Affinity DataIC50: 556nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32835(MLS000544330 | cid_5219869 | methyl 1-(4-methylben...)
Affinity DataIC50: 2.22E+3nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay
TargetCalpain-1 catalytic subunit(Human)
Univ. Lille

Curated by ChEMBL
LigandPNGBDBM32835(MLS000544330 | cid_5219869 | methyl 1-(4-methylben...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human calpain 1 using (DABCYL)-TPLKSPPPSPR-(EDANS) as substrate incubated for 30 mins in presence of calcium ions and GSH and measured ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed