BDBM50126534 2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-2-yl}-3-(4-methoxy-phenylsulfanyl)-propionic acid::CHEMBL285625
SMILES: COc1ccc(SCC(C(O)=O)n2c(=O)n3CC=CC(C(=O)NC[C@H]4CC[C@H](N)CC4)n3c2=O)cc1
InChI Key: InChIKey=AMDOWSCAGJDHME-OCUOFVAZSA-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)) | BDBM50126534![]() (2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.70 | 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 |