BDBM50087539 (4S,5R)-3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-dihydro-isoxazole-4-carboxylic acid (2'-sulfamoyl-biphenyl-4-yl)-amide::CHEMBL436235
SMILES: C[C@H]1ON=C([C@@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1cccc(c1)C(N)=N
InChI Key: InChIKey=MADZMQMBPVBDFK-SPLOXXLWSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM50087539 ((4S,5R)-3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-di...) | 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 |
The DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Inhibition of human Coagulation factor X | Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50087539 ((4S,5R)-3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-di...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Inhibitory activity against trypsin | Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50087539 ((4S,5R)-3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-di...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Inhibitory activity against thrombin | Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63 | |||||||||||
More data for this Ligand-Target Pair |