BDBM4970 (2R,3R,4S)-4-amino-2-{[2-(4-benzylphenyl)ethyl](propyl)carbamoyl}-3-acetamido-3,4-dihydro-2H-pyran-6-carboxylic acid::carboxamide deriv. 4am

SMILES: [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(Cc2ccccc2)cc1

InChI Key: InChIKey=ICJUBDNDCIISKF-ICDZXHCJSA-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 = 4970   

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)	BDBM4970 ((2R,3R,4S)-4-amino-2-{[2-(4-benzylphenyl)ethyl](pr...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(Cc2ccccc2)cc1 |r,c:3| Show InChI InChI=1S/C27H33N3O5/c1-3-14-30(15-13-19-9-11-21(12-10-19)16-20-7-5-4-6-8-20)26(32)25-24(29-18(2)31)22(28)17-23(35-25)27(33)34/h4-12,17,22,24-25H,3,13-16,28H2,1-2H3,(H,29,31)(H,33,34)/t22-,24+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+3	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)))	BDBM4970 ((2R,3R,4S)-4-amino-2-{[2-(4-benzylphenyl)ethyl](pr...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(Cc2ccccc2)cc1 |r,c:3| Show InChI InChI=1S/C27H33N3O5/c1-3-14-30(15-13-19-9-11-21(12-10-19)16-20-7-5-4-6-8-20)26(32)25-24(29-18(2)31)22(28)17-23(35-25)27(33)34/h4-12,17,22,24-25H,3,13-16,28H2,1-2H3,(H,29,31)(H,33,34)/t22-,24+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	270	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