BDBM50096629 3-(4-Amino-cyclohexyl)-2-oxo-3-[((6S,8aS)-4-oxo-2-phenylmethanesulfonyl-octahydro-pyrrolo[1,2-a]pyrazine-6-carbonyl)-amino]-propionic acid::CHEMBL3084828
SMILES: [H][C@@]12CC[C@H](N1C(=O)CN(C2)S(=O)(=O)Cc1ccccc1)C(=O)NC([C@H]1CC[C@H](N)CC1)C(=O)C(O)=O
InChI Key: InChIKey=ZSHPCUISFPOYNM-IXALHWGKSA-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)) | BDBM50096629 (3-(4-Amino-cyclohexyl)-2-oxo-3-[((6S,8aS)-4-oxo-2-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BioChem Pharma Inc. Curated by ChEMBL | Assay Description In vitro activity of the compound against human alpha thrombin was determined | Bioorg Med Chem Lett 11: 287-90 (2001) BindingDB Entry DOI: 10.7270/Q2P55MS6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50096629 (3-(4-Amino-cyclohexyl)-2-oxo-3-[((6S,8aS)-4-oxo-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BioChem Pharma Inc. Curated by ChEMBL | Assay Description In vitro activity of the compound against human alpha trypsin was determined | Bioorg Med Chem Lett 11: 287-90 (2001) BindingDB Entry DOI: 10.7270/Q2P55MS6 | |||||||||||
More data for this Ligand-Target Pair |