BDBM50079212 CHEMBL93227::[3-(3-Carbamimidoyl-phenyl)-5-(2'-methylsulfanyl-biphenyl-4-ylcarbamoyl)-4,5-dihydro-isoxazol-5-yl]-acetic acid methyl ester; TFA
SMILES: COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1SC
InChI Key: InChIKey=RGPVNZPSKITBFG-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)) | BDBM50079212 (CHEMBL93227 | [3-(3-Carbamimidoyl-phenyl)-5-(2'-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 66 | 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)) | BDBM50079212 (CHEMBL93227 | [3-(3-Carbamimidoyl-phenyl)-5-(2'-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 260 | 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)) | BDBM50079212 (CHEMBL93227 | [3-(3-Carbamimidoyl-phenyl)-5-(2'-me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.20E+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 |