Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50028522'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50028522 (CHEMBL3342484) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2-c2ccccc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C33H38N2O4/c1-4-28(5-2)39-31-20-27(33(37)38)19-30(32(31)35-22(3)36)34-21-26-17-16-25(23-12-8-6-9-13-23)18-29(26)24-14-10-7-11-15-24/h6-18,20,28,30-32,34H,4-5,19,21H2,1-3H3,(H,35,36)(H,37,38)/t30-,31+,32+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	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/shandong/S2/02(H9N2) Neuraminidase				J Med Chem 57: 8445-58 (2014) Article DOI: 10.1021/jm500892k BindingDB Entry DOI: 10.7270/Q2Z039QK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50028522 (CHEMBL3342484) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2-c2ccccc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C33H38N2O4/c1-4-28(5-2)39-31-20-27(33(37)38)19-30(32(31)35-22(3)36)34-21-26-17-16-25(23-12-8-6-9-13-23)18-29(26)24-14-10-7-11-15-24/h6-18,20,28,30-32,34H,4-5,19,21H2,1-3H3,(H,35,36)(H,37,38)/t30-,31+,32+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	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/duck/china/1206/2012(H5N1) Neuraminidase				J Med Chem 57: 8445-58 (2014) Article DOI: 10.1021/jm500892k BindingDB Entry DOI: 10.7270/Q2Z039QK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028522 (CHEMBL3342484) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2-c2ccccc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C33H38N2O4/c1-4-28(5-2)39-31-20-27(33(37)38)19-30(32(31)35-22(3)36)34-21-26-17-16-25(23-12-8-6-9-13-23)18-29(26)24-14-10-7-11-15-24/h6-18,20,28,30-32,34H,4-5,19,21H2,1-3H3,(H,35,36)(H,37,38)/t30-,31+,32+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	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/china/1220/2012(H5N1) Neuraminidase N1				J Med Chem 57: 8445-58 (2014) Article DOI: 10.1021/jm500892k BindingDB Entry DOI: 10.7270/Q2Z039QK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50028522 (CHEMBL3342484) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2-c2ccccc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C33H38N2O4/c1-4-28(5-2)39-31-20-27(33(37)38)19-30(32(31)35-22(3)36)34-21-26-17-16-25(23-12-8-6-9-13-23)18-29(26)24-14-10-7-11-15-24/h6-18,20,28,30-32,34H,4-5,19,21H2,1-3H3,(H,35,36)(H,37,38)/t30-,31+,32+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	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/duck/china/QJ/01(H5N1) Neuraminidase				J Med Chem 57: 8445-58 (2014) Article DOI: 10.1021/jm500892k BindingDB Entry DOI: 10.7270/Q2Z039QK
					More data for this Ligand-Target Pair