BDBM50133521 CHEMBL116202::N-[2-(2-Amino-ethyl)-5-chloro-benzyl]-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CCN
InChI Key: InChIKey=PKMVBAREXJLXPX-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50133521 (CHEMBL116202 | N-[2-(2-Amino-ethyl)-5-chloro-benzy...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory constant evaluated against thrombin (Factor IIa) | Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50133521 (CHEMBL116202 | N-[2-(2-Amino-ethyl)-5-chloro-benzy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory constant evaluated against trypsin | Bioorg Med Chem Lett 13: 3477-82 (2003) BindingDB Entry DOI: 10.7270/Q29P3119 | |||||||||||
More data for this Ligand-Target Pair |