BDBM50071572 8-{5-Amino-1-[2-(4-carbamoyl-phenyl)-ethylaminooxalyl]-pentylcarbamoyl}-2-(2,5-difluoro-benzyl)-1,3-dioxo-6-phenethyl-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylic acid methyl ester::CHEMBL74911
SMILES: COC(=O)C1C(CCc2ccccc2)=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(cc2)C(N)=O)n2n1c(=O)n(Cc1cc(F)ccc1F)c2=O
InChI Key: InChIKey=HQQREVQTBOMVGU-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kallikrein-1 (KLK1) (Homo sapiens (Human)) | BDBM50071572 (8-{5-Amino-1-[2-(4-carbamoyl-phenyl)-ethylaminooxa...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 21 | 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 inhibitory activity against Kallikrein | Bioorg Med Chem Lett 8: 2321-6 (1999) BindingDB Entry DOI: 10.7270/Q29C6WKV | |||||||||||
More data for this Ligand-Target Pair |