BDBM50097656 (4S,5R,6R)-4-Amino-5-(cyclopropanecarbonyl-amino)-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4H-pyran-2-carboxylic acid::CHEMBL350474

SMILES: CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)C1CC1)C(O)=O

InChI Key: InChIKey=RVJGZMJRZCICFV-QXAKKESOSA-N

Data: 2 IC50

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 = 50097656   

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/Puerto Rico/8/34/Mount Sinai(...)	BDBM50097656 ((4S,5R,6R)-4-Amino-5-(cyclopropanecarbonyl-amino)-...) Show SMILES CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)C1CC1)C(O)=O |c:17| Show InChI InChI=1S/C22H29N3O5/c1-2-11-25(12-10-14-6-4-3-5-7-14)21(27)19-18(24-20(26)15-8-9-15)16(23)13-17(30-19)22(28)29/h3-7,13,15-16,18-19H,2,8-12,23H2,1H3,(H,24,26)(H,28,29)/t16-,18+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against influenza A sialidase (Aichi)				Bioorg Med Chem Lett 11: 669-73 (2001) BindingDB Entry DOI: 10.7270/Q26M37CN
					More data for this Ligand-Target Pair
Neuraminidase B (Influenza B virus (B/Lee/40))	BDBM50097656 ((4S,5R,6R)-4-Amino-5-(cyclopropanecarbonyl-amino)-...) Show SMILES CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)C1CC1)C(O)=O |c:17| Show InChI InChI=1S/C22H29N3O5/c1-2-11-25(12-10-14-6-4-3-5-7-14)21(27)19-18(24-20(26)15-8-9-15)16(23)13-17(30-19)22(28)29/h3-7,13,15-16,18-19H,2,8-12,23H2,1H3,(H,24,26)(H,28,29)/t16-,18+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against influenza B sialidase (Victoria)				Bioorg Med Chem Lett 11: 669-73 (2001) BindingDB Entry DOI: 10.7270/Q26M37CN
					More data for this Ligand-Target Pair