BDBM17646 4-[(E)-2-chloroethenyl]-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]benzene-1-sulfonamide::N-[(3S)-2-oxopyrrolidin-3-yl]sulfonamide, 1i
SMILES: C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(\C=C\Cl)cc2)C1=O)C(=O)N1CCOCC1
InChI Key: InChIKey=WOGATBPZVOVBNK-LRPCFIKCSA-N
Data: 1 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)) | BDBM17646 (4-[(E)-2-chloroethenyl]-N-[(3S)-1-[(2S)-1-(morphol...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 314 | -8.78 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
GSK | Assay Description The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg... | J Med Chem 50: 1546-57 (2007) Article DOI: 10.1021/jm060870c BindingDB Entry DOI: 10.7270/Q2F18X06 | |||||||||||
More data for this Ligand-Target Pair |