BDBM50076227 (1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]pyridazine-1-carboxylic acid ((S)-4-guanidino-1-phenethylaminooxalyl-butyl)-amide::CHEMBL28817
SMILES: NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCCc1ccccc1
InChI Key: InChIKey=PYTGVMNMEXWEOU-SAGWHXFDSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Trypsin (Bos taurus (bovine)) | BDBM50076227 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Molecumetics Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against trypsin. | J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50076227 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Molecumetics Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against thrombin. | J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1 | |||||||||||
More data for this Ligand-Target Pair |