BDBM50526904 CHEMBL4591238

SMILES: CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(F)cc2Cl)nn1

InChI Key: InChIKey=MJWQFGIMIBRDHA-YTFSRNRJSA-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 = 50526904   

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))	BDBM50526904 (CHEMBL4591238) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(F)cc2Cl)nn1 |r,c:7| Show InChI InChI=1S/C24H32ClFN6O3/c1-4-19(5-2)35-22-9-16(8-21(27)23(22)29-14(3)33)24(34)28-11-18-13-32(31-30-18)12-15-6-7-17(26)10-20(15)25/h6-7,9-10,13,19,21-23H,4-5,8,11-12,27H2,1-3H3,(H,28,34)(H,29,33)/t21-,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50526904 (CHEMBL4591238) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(F)cc2Cl)nn1 |r,c:7| Show InChI InChI=1S/C24H32ClFN6O3/c1-4-19(5-2)35-22-9-16(8-21(27)23(22)29-14(3)33)24(34)28-11-18-13-32(31-30-18)12-15-6-7-17(26)10-20(15)25/h6-7,9-10,13,19,21-23H,4-5,8,11-12,27H2,1-3H3,(H,28,34)(H,29,33)/t21-,22+,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940
					More data for this Ligand-Target Pair