BDBM5245 (5R,6S)-5-amino-6-acetamido-1-(2-ethylbutanoyl)-1,4,5,6-tetrahydropyridazine-3-carboxylic acid::Tetrahydropyridazine deriv. 19

SMILES: CCC(CC)C(=O)N1N=C(C[C@@H](N)[C@H]1NC(C)=O)C(O)=O

InChI Key: InChIKey=TWIKMSBUPNVIPQ-KOLCDFICSA-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 = 5245   

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))	BDBM5245 ((5R,6S)-5-amino-6-acetamido-1-(2-ethylbutanoyl)-1,...) Show SMILES CCC(CC)C(=O)N1N=C(C[C@@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C13H22N4O4/c1-4-8(5-2)12(19)17-11(15-7(3)18)9(14)6-10(16-17)13(20)21/h8-9,11H,4-6,14H2,1-3H3,(H,15,18)(H,20,21)/t9-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 9: 1751-6 (1999) Article DOI: 10.1016/s0960-894x(99)00280-2 BindingDB Entry DOI: 10.7270/Q2ZS2TNF
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5245 ((5R,6S)-5-amino-6-acetamido-1-(2-ethylbutanoyl)-1,...) Show SMILES CCC(CC)C(=O)N1N=C(C[C@@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| Show InChI InChI=1S/C13H22N4O4/c1-4-8(5-2)12(19)17-11(15-7(3)18)9(14)6-10(16-17)13(20)21/h8-9,11H,4-6,14H2,1-3H3,(H,15,18)(H,20,21)/t9-,11+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 9: 1751-6 (1999) Article DOI: 10.1016/s0960-894x(99)00280-2 BindingDB Entry DOI: 10.7270/Q2ZS2TNF
					More data for this Ligand-Target Pair