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BDBM13590 (2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-2-fluoro-3-[(3R)-oxolan-3-yloxy]phenyl}acetic acid::(R)-(4-Carbamimidoyl-phenylamino)-{3-ethoxy-2-fluoro-5-[(R)-(tetra-hydro-furan-3-yl)-oxy]-phenyl}-acetic acid::phenylglycine derivative 5
SMILES: CCOc1cc(O[C@@H]2CCOC2)c(F)c(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O
InChI Key: InChIKey=PGYOHIAQCFZQDK-AUUYWEPGSA-N
| 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 VII (Homo sapiens (Human)) | BDBM13590 ((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | DrugBank PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 81 | -9.57 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
F. Hoffmann-La Roche Ltd. | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (crystal) | ||||||||||||
| Coagulation factor X (Homo sapiens (Human)) | BDBM13590 ((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Trypsin (Bos taurus (bovine)) | BDBM13590 ((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prothrombin (Homo sapiens (Human)) | BDBM13590 ((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 4.50E+3 | -7.22 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
F. Hoffmann-La Roche Ltd. | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
