BDBM4951 (2R,3R,4S)-4-amino-3-acetamido-2-[methyl(2-phenylethyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid::CHEMBL98838::carboxamide deriv. 4t

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

InChI Key: InChIKey=CKFUCCWIUYBYHB-NUEKZKHPSA-N

Data: 6 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 2 PDB IDs contain 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 6 hits for monomerid = 4951   

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/Singapore/1/57(H2N2)))	BDBM4951 ((2R,3R,4S)-4-amino-3-acetamido-2-[methyl(2-phenyle...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C18H23N3O5/c1-11(22)20-15-13(19)10-14(18(24)25)26-16(15)17(23)21(2)9-8-12-6-4-3-5-7-12/h3-7,10,13,15-16H,8-9,19H2,1-2H3,(H,20,22)(H,24,25)/t13-,15+,16+/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	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 B (Influenza B virus)	BDBM4951 ((2R,3R,4S)-4-amino-3-acetamido-2-[methyl(2-phenyle...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C18H23N3O5/c1-11(22)20-15-13(19)10-14(18(24)25)26-16(15)17(23)21(2)9-8-12-6-4-3-5-7-12/h3-7,10,13,15-16H,8-9,19H2,1-2H3,(H,20,22)(H,24,25)/t13-,15+,16+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+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 B (Influenza B virus (B/Lee/40))	BDBM4951 ((2R,3R,4S)-4-amino-3-acetamido-2-[methyl(2-phenyle...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C18H23N3O5/c1-11(22)20-15-13(19)10-14(18(24)25)26-16(15)17(23)21(2)9-8-12-6-4-3-5-7-12/h3-7,10,13,15-16H,8-9,19H2,1-2H3,(H,20,22)(H,24,25)/t13-,15+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type B				J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK
					More data for this Ligand-Target Pair
Neuraminidase B (Influenza B virus (B/Lee/40))	BDBM4951 ((2R,3R,4S)-4-amino-3-acetamido-2-[methyl(2-phenyle...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C18H23N3O5/c1-11(22)20-15-13(19)10-14(18(24)25)26-16(15)17(23)21(2)9-8-12-6-4-3-5-7-12/h3-7,10,13,15-16H,8-9,19H2,1-2H3,(H,20,22)(H,24,25)/t13-,15+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of influenza B sialidase (neuraminidase)				Bioorg Med Chem Lett 6: 2931-2936 (1996) Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM4951 ((2R,3R,4S)-4-amino-3-acetamido-2-[methyl(2-phenyle...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C18H23N3O5/c1-11(22)20-15-13(19)10-14(18(24)25)26-16(15)17(23)21(2)9-8-12-6-4-3-5-7-12/h3-7,10,13,15-16H,8-9,19H2,1-2H3,(H,20,22)(H,24,25)/t13-,15+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type A				J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM4951 ((2R,3R,4S)-4-amino-3-acetamido-2-[methyl(2-phenyle...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C18H23N3O5/c1-11(22)20-15-13(19)10-14(18(24)25)26-16(15)17(23)21(2)9-8-12-6-4-3-5-7-12/h3-7,10,13,15-16H,8-9,19H2,1-2H3,(H,20,22)(H,24,25)/t13-,15+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of influenza A sialidase (neuraminidase)				Bioorg Med Chem Lett 6: 2931-2936 (1996) Article DOI: 10.1016/S0960-894X(96)00542-2 BindingDB Entry DOI: 10.7270/Q24B31TM
					More data for this Ligand-Target Pair