null
SMILES: NC(=N)NOCCCOc1cc(Cl)cc(c1)C(=O)N(CC=C)C1CCCC1
InChI Key: InChIKey=XWIUMAPBZWNFNV-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer.
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)) | BDBM50149003 (CHEMBL123440 | N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory activity against thrombin | Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |