BDBM50199883 3,4‐Dichloroisocoumarin (2)::3,4-Dichloro-isochromen-1-one::3,4-dichloro-1H-isochromen-1-one::3,4-dichloroisocoumarin::CHEMBL24983::cid_1609

SMILES Clc1oc(=O)c2ccccc2c1Cl

InChI Key InChIKey=SUGXUUGGLDCZKB-UHFFFAOYSA-N

Data  19 IC50

PDB links: 1 PDB ID matches this monomer.

  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 19 hits for monomerid = 50199883   

TargetMitochondrial import inner membrane translocase subunit TIM10(Saccharomyces cerevisiae S288c)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetChymotrypsinogen A(Bos taurus (bovine))
Heinrich-Heine University Duesseldorf

Curated by ChEMBL
LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  3.50E+3nMAssay Description:Inhibition of bovine pancreas alpha-chymotrypsin using KSp21 as substrate preincubated for 30 mins followed by substrate addition measured after 50 t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAN1-type domain-containing protein(Archaeoglobus fulgidus (AfROM))
Technische Universität München

LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  8.10E+3nMpH: 7.4 T: 2°CAssay Description:We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRhomboid domain-containing protein(Pyrococcus horikoshii (Euryarchaeotes))
Technische Universität München

LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  1.60E+4nMpH: 7.4 T: 2°CAssay Description:We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRhomboid domain-containing protein(Thermotoga maritima (Thermotogales))
Technische Universität München

LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  1.00E+3nMpH: 7.4 T: 2°CAssay Description:We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlpG protein(Vibrio cholerae (g-Proteobacteria))
Technische Universität München

LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  2.70E+4nMpH: 7.4 T: 2°CAssay Description:We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRhomboid protease AarA(Providencia stuartii (Enterobacteria))
Technische Universität München

LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  1.00E+4nMpH: 7.4 T: 2°CAssay Description:We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRhomboid protease GlpG(Escherichia coli (Enterobacteria))
Technische Universität München

LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  1.90E+4nMpH: 7.4 T: 2°CAssay Description:We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRhomboid protease GlpG(Haemophilus influenzae (g-Proteobacteria))
Technische Universität München

LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  660nMpH: 7.4 T: 2°CAssay Description:We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRhomboid protease GluP [F193S,L370F,L379S,R499W](Bacillus subtilis (Firmicutes))
Technische Universität München

LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  4.10E+3nMpH: 7.4 T: 2°CAssay Description:We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRhomboid-related protein 1(Mus musculus (Mouse))
Technische Universität München

LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  2.80E+4nMpH: 7.4 T: 2°CAssay Description:We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRhomboid-related protein 3(Mus musculus (Mouse))
Technische Universität München

LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  7.00E+4nMpH: 7.4 T: 2°CAssay Description:We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of human leukocyte elastase using [14C]GS7340 substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLiver carboxylesterase(Sus scrofa)
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of porcine liver carboxylesterase using [14C]GS7340 substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  100nMAssay Description:The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE)More data for this Ligand-Target Pair
In DepthDetails Article
TargetChymotrypsin-like elastase family member 2A(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  700nMAssay Description:The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE)More data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  800nMAssay Description:The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE)More data for this Ligand-Target Pair
In DepthDetails Article
TargetLysosomal protective protein(Homo sapiens (Human))
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  600nMAssay Description:Inhibition of recombinant CatA using [14C]GS7340 substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRhomboid domain-containing protein(Aquifex aeolicus (Aquificales))
Technische Universität München

LigandPNGBDBM50199883(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Affinity DataIC50:  1.10E+3nMpH: 7.4 T: 2°CAssay Description:We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed