BDBM5197 (+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-butyl)-4-(thiazol-4-yl)-pyrrolidine-2-carboxylic acid dihydrochloride salt::(2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(1,3-thiazol-4-yl)pyrrolidine-2-carboxylic acid::Pyrrolidine deriv. 24
SMILES: [H][C@]1(N[C@H](C[C@H]1c1cscn1)C(O)=O)[C@H](CC(C)C)NC(C)=O
InChI Key: InChIKey=PKXFNEPZMSDNQP-CIQGVGRVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuraminidase A (Influenza A virus (A/Tokyo/3/67(H2N2))) | BDBM5197 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 350 | -8.71 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories | Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav... | J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase B (Influenza B virus (B/Memphis/3/93)) | BDBM5197 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 490 | -8.52 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Abbott Laboratories | Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav... | J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9 | |||||||||||
More data for this Ligand-Target Pair |