BDBM50097654 (4S,5R,6R)-4-Amino-6-dipropylcarbamoyl-5-propionylamino-5,6-dihydro-4H-pyran-2-carboxylic acid::CHEMBL346767

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

InChI Key: InChIKey=SVNMOASEXDAETI-ZLKJLUDKSA-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 = 50097654   

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 (B/Lee/40))	BDBM50097654 ((4S,5R,6R)-4-Amino-6-dipropylcarbamoyl-5-propionyl...) Show SMILES CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)CC)C(O)=O |c:11| Show InChI InChI=1S/C16H27N3O5/c1-4-7-19(8-5-2)15(21)14-13(18-12(20)6-3)10(17)9-11(24-14)16(22)23/h9-10,13-14H,4-8,17H2,1-3H3,(H,18,20)(H,22,23)/t10-,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.00E+3	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
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50097654 ((4S,5R,6R)-4-Amino-6-dipropylcarbamoyl-5-propionyl...) Show SMILES CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)CC)C(O)=O |c:11| Show InChI InChI=1S/C16H27N3O5/c1-4-7-19(8-5-2)15(21)14-13(18-12(20)6-3)10(17)9-11(24-14)16(22)23/h9-10,13-14H,4-8,17H2,1-3H3,(H,18,20)(H,22,23)/t10-,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	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