BDBM5202 (+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-butyl)-4-(trans-propen-1-yl)-pyrrolidine-2-carboxylic acid hydrochloric acid salt::(2R,4S,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-[(1E)-prop-1-en-1-yl]pyrrolidine-2-carboxylic acid::Pyrrolidine deriv. 30::Pyrrolidine deriv. 32
SMILES: [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O
InChI Key: InChIKey=NDSRVEVPEHGDQY-FWIHLOJWSA-N
Data: 5 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))) | BDBM5202![]() ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM5202![]() ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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/Lee/40)) | BDBM5202![]() ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase | Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuraminidase A (Influenza A virus (A/Tokyo/3/67(H2N2))) | BDBM5202![]() ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM5202![]() ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 |