BDBM50451005 CHEMBL290376::DuP-714
SMILES: CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O
InChI Key: InChIKey=FXFYPTZERULUBS-SQNIBIBYSA-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 |
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Prothrombin (Homo sapiens (Human)) | BDBM50451005 (CHEMBL290376 | DuP-714) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | 0.0420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Inhibition of Coagulation factor II | Bioorg Med Chem Lett 9: 925-30 (1999) BindingDB Entry DOI: 10.7270/Q2KS6QQ6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50451005 (CHEMBL290376 | DuP-714) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Inhibitory activity of the compound against trypsin | Bioorg Med Chem Lett 9: 925-30 (1999) BindingDB Entry DOI: 10.7270/Q2KS6QQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50451005 (CHEMBL290376 | DuP-714) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Du Pont Merck Pharmaceutical Company Curated by ChEMBL | Assay Description Inhibition constant for binding with thrombin was determined | J Med Chem 36: 1831-8 (1993) BindingDB Entry DOI: 10.7270/Q21G0KB8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |