BDBM13291 3-{[(3S)-2-oxo-3-{[4-(pyridin-2-yl)benzene]sulfonamido}pyrrolidin-1-yl]methyl}benzene-1-carboximidamide::4-Pyridin-2-ylbenzenesulfonic Acid {1-[3-(Aminoiminomethyl)benzyl]-2-oxopyrrolidin-3-(S)-yl}amide::Sulfonamidopyrrolidinone 3d
SMILES: NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccccn3)C2=O)c1
InChI Key: InChIKey=APOUXRBLXHMFLL-NRFANRHFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM13291 (3-{[(3S)-2-oxo-3-{[4-(pyridin-2-yl)benzene]sulfona...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 150 | -9.21 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Rhone-Poulenc Rorer | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | J Med Chem 42: 3572-87 (1999) Article DOI: 10.1021/jm990041+ BindingDB Entry DOI: 10.7270/Q2KW5D9R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM13291 (3-{[(3S)-2-oxo-3-{[4-(pyridin-2-yl)benzene]sulfona...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >2.90E+3 | >-7.47 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Rhone-Poulenc Rorer | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | J Med Chem 42: 3572-87 (1999) Article DOI: 10.1021/jm990041+ BindingDB Entry DOI: 10.7270/Q2KW5D9R | |||||||||||
More data for this Ligand-Target Pair |