BDBM50088657 CHEMBL11181::N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-isobutyl-3,6-dimethyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
SMILES: CC(C)C[C@]1(C)Cc2cc(C)n(CC(=O)NCc3ccc(N)nc3C)c(=O)c2NC1=O
InChI Key: InChIKey=LEKJANNKDBZUCB-HSZRJFAPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Trypsin-1 (Homo sapiens (Human)) | BDBM50088657 (CHEMBL11181 | 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 Similars | PubMed | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description The compound was tested for its ability to inhibit thrombin. | Bioorg Med Chem Lett 10: 1069-72 (2000) BindingDB Entry DOI: 10.7270/Q2DZ07J2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50088657 (CHEMBL11181 | 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 Similars | PubMed | 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description The compound was tested for its ability to inhibit trypsin. | Bioorg Med Chem Lett 10: 1069-72 (2000) BindingDB Entry DOI: 10.7270/Q2DZ07J2 | |||||||||||
More data for this Ligand-Target Pair |