BDBM50222713 CHEMBL423972

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

InChI Key: InChIKey=LCBSOAZXCWWGIK-HRRFRDKFSA-N

Data: 1 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 1 hit for monomerid = 50222713   

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 (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50222713 (CHEMBL423972) Show SMILES [H][C@]1(OC[C@@H](O)[C@H]1O)[C@]1([H])OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |c:12| Show InChI InChI=1S/C13H20N4O7/c1-4(18)16-8-5(17-13(14)15)2-7(12(21)22)24-10(8)11-9(20)6(19)3-23-11/h2,5-6,8-11,19-20H,3H2,1H3,(H,16,18)(H,21,22)(H4,14,15,17)/t5-,6+,8+,9+,10+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against influenza A virus sialidase A/PR/8/34				Bioorg Med Chem Lett 13: 669-73 (2003) BindingDB Entry DOI: 10.7270/Q2P84F3T
					More data for this Ligand-Target Pair