BDBM50126486 CHEMBL32549::N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-(2-cyclopropylmethyl-7-methyl-1,1,5-trioxo-1,3,4,5-tetrahydro-2H-1lambda*6*-thia-2,4,6-triaza-naphthalen-6-yl)-acetamide
SMILES: Cc1cc2c(NCN(CC3CC3)S2(=O)=O)c(=O)n1CC(=O)NCc1ccc(N)nc1C
InChI Key: InChIKey=NKYGNWLYMMANAH-UHFFFAOYSA-N
Data: 2 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)) | BDBM50126486 (CHEMBL32549 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human thrombin | Bioorg Med Chem Lett 13: 1441-4 (2003) BindingDB Entry DOI: 10.7270/Q2736Q8C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50126486 (CHEMBL32549 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human trypsin | Bioorg Med Chem Lett 13: 1441-4 (2003) BindingDB Entry DOI: 10.7270/Q2736Q8C | |||||||||||
More data for this Ligand-Target Pair |