null

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

InChI Key: InChIKey=PKRFQEZVEWMYDS-RRFJBIMHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50496023   

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)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5258/2009(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substra...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Rheinland-Pfalz/3911/03(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed b...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Hong Kong/68(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/HH/1580/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate a...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5555/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Sachsen/6/02(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Berlin/10/04(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase H274Y mutant in Oseltamivir-resistant Influenza A virus A/Berlin/55/08(H1N1) using Na-star as substrate preincubated for ...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair