BDBM50337470 2-(2-(5-chloro-4-(2-(5-chloro-2-(2,2,2-trifluoroethoxy)benzylamino)-2-oxoethyl)-3-oxo-3,4-dihydropyrazin-2-ylamino)ethyl)pyridine 1-oxide::CHEMBL1682765
SMILES: [O-][n+]1ccccc1CCNc1ncc(Cl)n(CC(=O)NCc2cc(Cl)ccc2OCC(F)(F)F)c1=O
InChI Key: InChIKey=HLANTMDITQKBND-UHFFFAOYSA-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 |
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Prothrombin (Homo sapiens (Human)) | BDBM50337470 (2-(2-(5-chloro-4-(2-(5-chloro-2-(2,2,2-trifluoroet...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of thrombin | Bioorg Med Chem Lett 21: 1532-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.108 BindingDB Entry DOI: 10.7270/Q2ZS2WS2 | |||||||||||
More data for this Ligand-Target Pair |