BDBM50296420 CHEMBL558714::ethyl 2-(4-ethyl-5-((4-ethylphenoxy)methyl)-4H-1,2,4-triazol-3-ylthio)-3-methylbutanoate
SMILES: CCOC(=O)C(Sc1nnc(COc2ccc(CC)cc2)n1CC)C(C)C
InChI Key: InChIKey=RNCJWHBQJOYSEG-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thrombin-activatable fibrinolysis (TAFI) (Homo sapiens (Human)) | BDBM50296420 (CHEMBL558714 | ethyl 2-(4-ethyl-5-((4-ethylphenoxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system | Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxypeptidase B (Helicoverpa zea (Corn earworm moth) (Heliothis zea...) | BDBM50296420 (CHEMBL558714 | ethyl 2-(4-ethyl-5-((4-ethylphenoxy...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system | Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxypeptidase A1 (Bos taurus (bovine)) | BDBM50296420 (CHEMBL558714 | ethyl 2-(4-ethyl-5-((4-ethylphenoxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Aut£noma de Barcelona Curated by ChEMBL | Assay Description Inhibition of bovine carboxypeptidase A1 | Eur J Med Chem 44: 3266-71 (2009) Article DOI: 10.1016/j.ejmech.2009.03.034 BindingDB Entry DOI: 10.7270/Q26110C4 | |||||||||||
More data for this Ligand-Target Pair |