BDBM50279766 CHEMBL213783::{2-{5-Benzyloxy-4-[4-(5-benzyloxy-4-hydroxymethyl-2-methoxy-benzyl)-5-carboxymethoxy-2-methoxy-benzyl]-2-methoxy-benzyl}-5-[2-benzyloxy-4-(2-carboxymethoxy-5-hydroxy-benzyl)-5-methoxy-benzyl]-4-methoxy-phenoxy}-acetic acid
SMILES: COc1cc(CO)c(OCc2ccccc2)cc1Cc1cc(OC)c(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(O)ccc5OCC(O)=O)cc4OCc4ccccc4)cc3OCC(O)=O)cc2OCc2ccccc2)cc1OCC(O)=O
InChI Key: InChIKey=PLRUYADVNZHFAE-UHFFFAOYSA-N
Data: 3 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)) | BDBM50279766 (CHEMBL213783 | {2-{5-Benzyloxy-4-[4-(5-benzyloxy-4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 200 | 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 | |||||||||||||
Cathepsin G (Homo sapiens (Human)) | BDBM50279766 (CHEMBL213783 | {2-{5-Benzyloxy-4-[4-(5-benzyloxy-4...) | 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+3 | 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)) | BDBM50279766 (CHEMBL213783 | {2-{5-Benzyloxy-4-[4-(5-benzyloxy-4...) | 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 |