BDBM50401399 CHEMBL2206456

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

InChI Key: InChIKey=MSIIIHISTLWEPM-YNEHKIRRSA-N

Data: 3 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 3 hits for monomerid = 50401399   

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 (strain A/Wilson-Smith/1933 H1N1...)	BDBM50401399 (CHEMBL2206456) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(O)=O |r,c:7| Show InChI InChI=1S/C13H25N2O5P/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H2,17,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of wild type Influenza A virus A/WSN/1933(H1N1) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50401399 (CHEMBL2206456) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(O)=O |r,c:7| Show InChI InChI=1S/C13H25N2O5P/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H2,17,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/reassortant/NIBRG-14(Viet Nam/1194/2004 x Puerto Rico/8/1934)(H5N1)) neuraminidase in virus-infected allantoic flu...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Udorn/307/1972 H3N2))	BDBM50401399 (CHEMBL2206456) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(O)=O |r,c:7| Show InChI InChI=1S/C13H25N2O5P/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H2,17,18,19)/t11-,12+,13+/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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Udorn/1972(H3N2) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylne...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair