BDBM4953 (2R,3R,4S)-4-amino-2-[(carboxymethyl)(2-phenylethyl)carbamoyl]-3-acetamido-3,4-dihydro-2H-pyran-6-carboxylic acid::carboxamide deriv. 4v

SMILES: [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)CC(O)=O

InChI Key: InChIKey=JDDODTKYXPWGDJ-IAOVAPTHSA-N

Data: 2 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 4953   

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 B (Influenza B virus)	BDBM4953 ((2R,3R,4S)-4-amino-2-[(carboxymethyl)(2-phenylethy...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)CC(O)=O |r,c:3| Show InChI InChI=1S/C19H23N3O7/c1-11(23)21-16-13(20)9-14(19(27)28)29-17(16)18(26)22(10-15(24)25)8-7-12-5-3-2-4-6-12/h2-6,9,13,16-17H,7-8,10,20H2,1H3,(H,21,23)(H,24,25)(H,27,28)/t13-,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				J Med Chem 41: 787-97 (1998) Article DOI: 10.1021/jm970374b BindingDB Entry DOI: 10.7270/Q2RF5S7G
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Singapore/1/57(H2N2)))	BDBM4953 ((2R,3R,4S)-4-amino-2-[(carboxymethyl)(2-phenylethy...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)CC(O)=O |r,c:3| Show InChI InChI=1S/C19H23N3O7/c1-11(23)21-16-13(20)9-14(19(27)28)29-17(16)18(26)22(10-15(24)25)8-7-12-5-3-2-4-6-12/h2-6,9,13,16-17H,7-8,10,20H2,1H3,(H,21,23)(H,24,25)(H,27,28)/t13-,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				J Med Chem 41: 787-97 (1998) Article DOI: 10.1021/jm970374b BindingDB Entry DOI: 10.7270/Q2RF5S7G
					More data for this Ligand-Target Pair