BDBM50195757 CHEMBL227247::N-{(S)-1-[4-(12-amino-dodecanoyl)-piperazine-1-carbonyl]-4-guanidino-butyl}-3-methyl-benzenesulfonamide
SMILES: [#6]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]
InChI Key: InChIKey=MMSGVKVRJOMARN-SANMLTNESA-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)) | BDBM50195757 (CHEMBL227247 | N-{(S)-1-[4-(12-amino-dodecanoyl)-p...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université catholique de Louvain Curated by ChEMBL | Assay Description Inhibition of human alpha thrombin | Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6 | |||||||||||
More data for this Ligand-Target Pair |