BDBM50289578 CHEMBL418427::N-[(R)-4-Guanidino-1-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-butyl]-benzamide
SMILES: CC1(C)OB(OC1(C)C)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1
InChI Key: InChIKey=FFKXMMYMOADSJO-AWEZNQCLSA-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)) | BDBM50289578 (CHEMBL418427 | N-[(R)-4-Guanidino-1-(4,4,5,5-tetra...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of trypsin | Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50289578 (CHEMBL418427 | N-[(R)-4-Guanidino-1-(4,4,5,5-tetra...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 512 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of thrombin | Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ | |||||||||||
More data for this Ligand-Target Pair |