BDBM50464872 CHEMBL4293261

SMILES: OC(=O)C(F)(F)F.[H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCN)C(O)=O)NC(N)=N

InChI Key: InChIKey=INDGWLGCZCKEJP-UIDTYADTSA-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 = 50464872   

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...)	BDBM50464872 (CHEMBL4293261) Show SMILES OC(=O)C(F)(F)F.[H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCN)C(O)=O)NC(N)=N |r| Show InChI InChI=1S/C19H36N6O5.C2HF3O2/c1-4-11(5-2)15(24-10(3)26)14-13(25-18(21)22)9-12(17(27)28)16(14)30-19(29)23-8-6-7-20;3-2(4,5)1(6)7/h11-16H,4-9,20H2,1-3H3,(H,23,29)(H,24,26)(H,27,28)(H4,21,22,25);(H,6,7)/t12-,13+,14+,15-,16+;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry				Eur J Med Chem 145: 224-234 (2018) Article DOI: 10.1016/j.ejmech.2017.12.072 BindingDB Entry DOI: 10.7270/Q22R3VBS
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50464872 (CHEMBL4293261) Show SMILES OC(=O)C(F)(F)F.[H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCN)C(O)=O)NC(N)=N |r| Show InChI InChI=1S/C19H36N6O5.C2HF3O2/c1-4-11(5-2)15(24-10(3)26)14-13(25-18(21)22)9-12(17(27)28)16(14)30-19(29)23-8-6-7-20;3-2(4,5)1(6)7/h11-16H,4-9,20H2,1-3H3,(H,23,29)(H,24,26)(H,27,28)(H4,21,22,25);(H,6,7)/t12-,13+,14+,15-,16+;/m0./s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase H275Y mutant pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorom...				Eur J Med Chem 145: 224-234 (2018) Article DOI: 10.1016/j.ejmech.2017.12.072 BindingDB Entry DOI: 10.7270/Q22R3VBS
					More data for this Ligand-Target Pair