BDBM50120228 CHEMBL111195::Cyclohexyl-{2-[2-(4-guanidino-butyrylamino)-3-(4-nitro-phenyl)-propionylamino]-3-hydroxy-butyrylamino}-acetic acid methyl ester
SMILES: COC(=O)C(NC(=O)C(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(C)O)C1CCCCC1
InChI Key: InChIKey=LLEXUDASYMLUDP-UHFFFAOYSA-N
Data: 1 IC50
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)) | BDBM50120228 (CHEMBL111195 | Cyclohexyl-{2-[2-(4-guanidino-butyr...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Concentration of the compound required to inhibit Human alpha-thrombin was determined | Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK | |||||||||||
More data for this Ligand-Target Pair |