BDBM50054484 CHEMBL344204::CVS-1778::N-((S)-1-Formyl-4-guanidino-butyl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-azepan-1-yl)-acetamide
SMILES: NC(=N)NCCC[C@H](NC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C=O
InChI Key: InChIKey=PTYYNQHOHSWREY-ROUUACIJSA-N
Data: 3 IC50
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)) | BDBM50054484 (CHEMBL344204 | CVS-1778 | N-((S)-1-Formyl-4-guanid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 20.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International Inc. Curated by ChEMBL | Assay Description Compound was evaluated for inhibition of amidolytic activity for chromogenic substrate Coagulation factor X | J Med Chem 39: 4527-30 (1996) Article DOI: 10.1021/jm960607j BindingDB Entry DOI: 10.7270/Q2CR5SFV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin II (Bos taurus) | BDBM50054484 (CHEMBL344204 | CVS-1778 | N-((S)-1-Formyl-4-guanid...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 329 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International Inc. Curated by ChEMBL | Assay Description Compound was evaluated for inhibition of amidolytic activity for chromogenic substrate trypsin | J Med Chem 39: 4527-30 (1996) Article DOI: 10.1021/jm960607j BindingDB Entry DOI: 10.7270/Q2CR5SFV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50054484 (CHEMBL344204 | CVS-1778 | N-((S)-1-Formyl-4-guanid...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
Corvas International Inc. Curated by ChEMBL | Assay Description Compound was evaluated for inhibition of amidolytic activity for chromogenic substrate thrombin F11a. | J Med Chem 39: 4527-30 (1996) Article DOI: 10.1021/jm960607j BindingDB Entry DOI: 10.7270/Q2CR5SFV | |||||||||||
More data for this Ligand-Target Pair |