Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neutrophil elastase (Homo sapiens (Human)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was evaluated in vitro for the inhibition of human leukocyte elastase(HLE) | Bioorg Med Chem Lett 3: 2547-2552 (1993) Article DOI: 10.1016/S0960-894X(01)80714-9 BindingDB Entry DOI: 10.7270/Q2CV4HNW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysosomal protective protein (Homo sapiens (Human)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant CatA using [14C]GS7340 substrate | Antimicrob Agents Chemother 51: 543-50 (2007) Article DOI: 10.1128/AAC.00968-06 BindingDB Entry DOI: 10.7270/Q2ZG6RW5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid protease GlpG (Haemophilus influenzae (g-Proteobacteria)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 660 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chymotrypsin-like elastase family member 2A (Rattus norvegicus) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was evaluated in vitro for the inhibition of rat leukocyte elastase(RLE) | Bioorg Med Chem Lett 3: 2547-2552 (1993) Article DOI: 10.1016/S0960-894X(01)80714-9 BindingDB Entry DOI: 10.7270/Q2CV4HNW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chymotrypsin-like elastase family member 2A (Sus scrofa) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was evaluated in vitro for the inhibition of pancreatitic porcine elastase(PPE) | Bioorg Med Chem Lett 3: 2547-2552 (1993) Article DOI: 10.1016/S0960-894X(01)80714-9 BindingDB Entry DOI: 10.7270/Q2CV4HNW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid domain-containing protein (Thermotoga maritima (Thermotogales)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid domain-containing protein (Aquifex aeolicus (Aquificales)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil elastase (Homo sapiens (Human)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc. Curated by ChEMBL | Assay Description Inhibition of human leukocyte elastase using [14C]GS7340 substrate | Antimicrob Agents Chemother 51: 543-50 (2007) Article DOI: 10.1128/AAC.00968-06 BindingDB Entry DOI: 10.7270/Q2ZG6RW5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chymotrypsinogen A (Bos taurus (bovine)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine University Duesseldorf Curated by ChEMBL | Assay Description Inhibition of bovine pancreas alpha-chymotrypsin using KSp21 as substrate preincubated for 30 mins followed by substrate addition measured after 50 t... | Bioorg Med Chem Lett 28: 1417-1422 (2018) Article DOI: 10.1016/j.bmcl.2018.02.017 BindingDB Entry DOI: 10.7270/Q2HX1G8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid protease GluP [F193S,L370F,L379S,R499W] (Bacillus subtilis (Firmicutes)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
AN1-type domain-containing protein (Archaeoglobus fulgidus (AfROM)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid protease AarA (Providencia stuartii (Enterobacteria)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid domain-containing protein (Pyrococcus horikoshii (Euryarchaeotes)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid protease GlpG (Escherichia coli (Enterobacteria)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GlpG protein (Vibrio cholerae (g-Proteobacteria)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid-related protein 1 (Mus musculus (Mouse)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhomboid-related protein 3 (Mus musculus (Mouse)) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Technische Universität München | Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP. | ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitochondrial import inner membrane translocase subunit TIM10 (Saccharomyces cerevisiae S288c) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | PCBioAssay | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JQ0ZH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Liver carboxylesterase (Sus scrofa) | BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) | PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc. Curated by ChEMBL | Assay Description Inhibition of porcine liver carboxylesterase using [14C]GS7340 substrate | Antimicrob Agents Chemother 51: 543-50 (2007) Article DOI: 10.1128/AAC.00968-06 BindingDB Entry DOI: 10.7270/Q2ZG6RW5 | |||||||||||
More data for this Ligand-Target Pair |