BDBM50066338 CHEMBL327115::[2-({[(S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidine-2-carbonyl]-amino}-methyl)-4-chloro-phenoxy]-acetic acid ethyl ester
SMILES: CCOC(=O)COc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1
InChI Key: InChIKey=HFQWGEWYWALPSY-SIKLNZKXSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50066338 (CHEMBL327115 | [2-({[(S)-1-((R)-2-Amino-2-cyclohex...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity of the compound was evaluated on serine protease thrombin. | J Med Chem 41: 3210-9 (1998) Article DOI: 10.1021/jm9801713 BindingDB Entry DOI: 10.7270/Q24Q7T4G | |||||||||||
More data for this Ligand-Target Pair |