BDBM50066641 (2S,4R)-4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-phenoxy]-pyridin-4-yloxy}-pyrrolidine-2-carboxylic acid::CHEMBL332189
SMILES: CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(O[C@H]3CN[C@@H](C3)C(O)=O)c2F)c1
InChI Key: InChIKey=VNQPTQBZRMCGSE-SJORKVTESA-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)) | BDBM50066641 ((2S,4R)-4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Inhibitory potency was measured against human coagulation factor X | J Med Chem 41: 3557-62 (1998) Article DOI: 10.1021/jm980280h BindingDB Entry DOI: 10.7270/Q2KS6QPR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50066641 ((2S,4R)-4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Inhibitory potency was measured against human thrombin | J Med Chem 41: 3557-62 (1998) Article DOI: 10.1021/jm980280h BindingDB Entry DOI: 10.7270/Q2KS6QPR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50066641 ((2S,4R)-4-{2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Inhibitory potency was measured against bovine trypsin. | J Med Chem 41: 3557-62 (1998) Article DOI: 10.1021/jm980280h BindingDB Entry DOI: 10.7270/Q2KS6QPR | |||||||||||
More data for this Ligand-Target Pair |