BDBM50079217 4'-{[3-(3-Carbamimidoyl-phenyl)-5-methoxycarbonylmethyl-4,5-dihydro-isoxazole-5-carbonyl]-amino}-biphenyl-2-carboxylic acid methyl ester; TFA::CHEMBL329568
SMILES: COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1C(=O)OC
InChI Key: InChIKey=KCQKMTHGFMWUGY-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM50079217 (4'-{[3-(3-Carbamimidoyl-phenyl)-5-methoxycarbonylm...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 53 | 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 to purified human coagulation factor Xa (FXa) | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50079217 (4'-{[3-(3-Carbamimidoyl-phenyl)-5-methoxycarbonylm...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description The binding affinity was measured towards human purified trypsin | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50079217 (4'-{[3-(3-Carbamimidoyl-phenyl)-5-methoxycarbonylm...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description The binding affinity towards thrombin obtained from human purified enzymes. | J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C | |||||||||||
More data for this Ligand-Target Pair |