BDBM50071564 2,2-Diallyl-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid {5-amino-1-[2-(4-carbamoyl-phenyl)-ethylaminooxalyl]-pentyl}-amide::CHEMBL308576
SMILES: CC1=CC(N2N(C1)C(=O)C(CC=C)(CC=C)C2=O)C(=O)NC(CCCCN)C(=O)C(=O)NCCc1ccc(cc1)C(N)=O
InChI Key: InChIKey=KIQFLPNZOYWFDB-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)) | BDBM50071564 (2,2-Diallyl-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Molecumetics Ltd. Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity to the thrombin | Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV | |||||||||||
More data for this Ligand-Target Pair |