BDBM50126528 2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-2-yl}-3-(4-bromo-phenylsulfanyl)-propionic acid methyl ester::CHEMBL36012
SMILES: COC(=O)C(CSc1ccc(Br)cc1)n1c(=O)n2CC=CC(C(=O)NC[C@H]3CC[C@H](N)CC3)n2c1=O
InChI Key: InChIKey=IKBZDWWNNBGABU-GKTFFFRKSA-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)) | BDBM50126528 (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Molecumetics Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human thrombin | Bioorg Med Chem Lett 13: 1445-9 (2003) BindingDB Entry DOI: 10.7270/Q23F4P0T | |||||||||||
More data for this Ligand-Target Pair |