BDBM50365364 CHEMBL4161008

SMILES: CCC(CC)O[C@@H]1C=C([C@@H]([C@H](N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O

InChI Key: InChIKey=GXNOHOHWASXQHD-BXEXHWSDSA-N

Data: 2 KI

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 = 50365364   

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/Memphis/1/1971 H3N2))	BDBM50365364 (CHEMBL4161008) Show SMILES CCC(CC)O[C@@H]1C=C([C@@H]([C@H](N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:7| Show InChI InChI=1S/C19H31N5O5/c1-5-11(6-2)29-15-8-12(19(27)28)18(16(20)17(15)21-10(4)25)24-9-13(22-23-24)14(26)7-3/h8-9,11,14-18,26H,5-7,20H2,1-4H3,(H,21,25)(H,27,28)/t14?,15-,16-,17+,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (H3N2) neuraminidase activity				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50365364 (CHEMBL4161008) Show SMILES CCC(CC)O[C@@H]1C=C([C@@H]([C@H](N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:7| Show InChI InChI=1S/C19H31N5O5/c1-5-11(6-2)29-15-8-12(19(27)28)18(16(20)17(15)21-10(4)25)24-9-13(22-23-24)14(26)7-3/h8-9,11,14-18,26H,5-7,20H2,1-4H3,(H,21,25)(H,27,28)/t14?,15-,16-,17+,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (H1N1) neuraminidase activity				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair