BDBM50076911 (4R,5R)-5-(3-Carbamimidoyl-phenyl)-2-(2'-sulfamoyl-biphenyl-4-ylmethyl)-isoxazolidine-4-carboxylic acid isopropyl ester with 2M of TFA::CHEMBL18578
SMILES: CC(C)OC(=O)[C@@H]1CN(Cc2ccc(cc2)-c2ccccc2S(N)(=O)=O)O[C@H]1c1cccc(c1)C(N)=N
InChI Key: InChIKey=MPIZHZHLXIHDRD-NOZRDPDXSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM50076911 ((4R,5R)-5-(3-Carbamimidoyl-phenyl)-2-(2'-sulfamoyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Binding affinity against Coagulation factor X in an enzyme inhibition assay. | Bioorg Med Chem Lett 9: 1195-200 (1999) BindingDB Entry DOI: 10.7270/Q20V8BZZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50076911 ((4R,5R)-5-(3-Carbamimidoyl-phenyl)-2-(2'-sulfamoyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Binding affinity against trypsin in an enzyme inhibition assay. | Bioorg Med Chem Lett 9: 1195-200 (1999) BindingDB Entry DOI: 10.7270/Q20V8BZZ | |||||||||||
More data for this Ligand-Target Pair |