BDBM50279770 2-{4-benzyloxy-5-[5-benzyloxy-4-(5-benzyloxy-4-{5-benzyloxy-4-[5-benzyloxy-2-carboxymethoxy-4-(2-carboxymethoxy-5-hydroxybenzyl)benzyl]-2-carboxymethoxybenzyl}-2-carboxymethoxybenzyl)-2-carboxymethoxybenzyl]-2-hydroxymethylphenoxy}acetic acid.H2O::CHEMBL267968
SMILES: OCc1cc(OCc2ccccc2)c(Cc2cc(OCc3ccccc3)c(Cc3cc(OCc4ccccc4)c(Cc4cc(OCc5ccccc5)c(Cc5cc(OCc6ccccc6)c(Cc6cc(O)ccc6OCC(O)=O)cc5OCC(O)=O)cc4OCC(O)=O)cc3OCC(O)=O)cc2OCC(O)=O)cc1OCC(O)=O
InChI Key: InChIKey=MODVMEKJPRXTGW-UHFFFAOYSA-N
Data: 4 KI
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Leukocyte elastase (Homo sapiens (Human)) | BDBM50279770 (2-{4-benzyloxy-5-[5-benzyloxy-4-(5-benzyloxy-4-{5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer Curated by ChEMBL | Assay Description Inhibitory activity against human leukocyte elastase | J Med Chem 40: 3408-22 (1997) Article DOI: 10.1021/jm970251r BindingDB Entry DOI: 10.7270/Q26D5S4T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50279770 (2-{4-benzyloxy-5-[5-benzyloxy-4-(5-benzyloxy-4-{5-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer Curated by ChEMBL | Assay Description Binding Affinity of the compound to inhibit HLE | J Med Chem 40: 3408-22 (1997) Article DOI: 10.1021/jm970251r BindingDB Entry DOI: 10.7270/Q26D5S4T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin G (Homo sapiens (Human)) | BDBM50279770 (2-{4-benzyloxy-5-[5-benzyloxy-4-(5-benzyloxy-4-{5-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Rhône-Poulenc Rorer Curated by ChEMBL | Assay Description Inhibition of cathepsin G at pH 7.5 in HEPES buffer containing 200 mM NaCl with substrate Suc-Ala-Ala-Pro-Phe-pNA. | J Med Chem 40: 3408-22 (1997) Article DOI: 10.1021/jm970251r BindingDB Entry DOI: 10.7270/Q26D5S4T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50279770 (2-{4-benzyloxy-5-[5-benzyloxy-4-(5-benzyloxy-4-{5-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Rhône-Poulenc Rorer Curated by ChEMBL | Assay Description Inhibition of thrombin at pH 7.5 in HEPES buffer containing 200 mM NaCl with substrate Bz-Phe-Val-Arg-pNA. | J Med Chem 40: 3408-22 (1997) Article DOI: 10.1021/jm970251r BindingDB Entry DOI: 10.7270/Q26D5S4T | |||||||||||
More data for this Ligand-Target Pair |